Geometry & MOs

Info

ID:	26905
PubChem CID:	803912
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	5.31
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanylbenzimidazol-1-yl)-N-(3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations