You could be based in a university, combining chemical research with teaching; in a pharmaceutical company, working on developing and trialing new drugs; helping to ensure national healthcare provision keeps pace with new discoveries. Formula: https://www.ambeed.com/products/122111-11-9.html122111-11-9, Name is ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate, SMILES is O=C(OC[C@H]1OC(OS(=O)(C)=O)C(F)(F)[C@@H]1OC(C2=CC=CC=C2)=O)C3=CC=CC=C3, belongs to dioxole compound. In a article, author is Vokin, AI, introduce new discover of the category.
Ionization energies of four model compounds with known conformations, i.e., benzo-1,3-dioxole, 2-methoxyphenol, benzo-1,3-dioxole-5-carbaldehyde (piperonal), and 4-hydroxy-3-methoxybenzaldehyde, have been calculated by the ab initio AM1 method, using the formalized scheme of configuration interactions. It has been demonstrated that this method is adequate for the study of photoelectronic spectra of methoxy(hydroxy)-substituted benzenes. The ionization energies of 1,2-dimethoxybenzene, 3,4-dimethoxybenzaldehyde, and 4-hydroxy-3,5-dimethoxybenzaldehyde have been calculated for various orientations of the o-methoxy(hydroxy) groups. It has been revealed that three first ionization potentials corresponding to the states with vacancies on the pi-MO depend on the torsion angle. It has been established by comparison of calculated and experimental ionization potentials that in gas the compounds with adjacent methoxy groups have one O-Me bond parallel with the plane of the benzene ring, while another group is nearly perpendicular to this plane. Conformations of the heavy-atom framework are planar for gaseous molecules with adjacent methoxy and hydroxy groups.
Formula: https://www.ambeed.com/products/122111-11-9.html, You can get involved in discussing the latest developments in this exciting area about 122111-11-9.
Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem