Geometry & MOs

Info

ID:	88892
PubChem CID:	49957412
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	16.02
Dipole, Da:	5.89
IP(EA), eV:	-8.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations