Geometry & MOs

Info

ID:	312808
PubChem CID:	126608845
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	391.169605
ΔH_f, kcal/mol:	-104.73
Dipole, Da:	7.19
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(4-fluorophenyl)methyl]-2,7-dimethylbenzimidazol-5-yl]-3-methoxy-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CN(S2(=O)=O)C)C3=CN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations