Geometry & MOs

Info

ID:

182935

PubChem CID:

76958574

Reduced:

NO3C20H23 (2)

Stoich.:

AB3C20D23 (2)

Weight, g/mol:

794.181567

ΔHf, kcal/mol:

-179.42

Dipole, Da:

2.27

IP(EA), eV:

 -8.76(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole;6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CN1CCC[C@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.CN1CCC[C@@H](C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations