Geometry & MOs

Info

ID:	62954
PubChem CID:	26737776
Reduced:	SN3O5H13C18 (1)
Stoich.:	AB3C5D13E18 (1)
Weight, g/mol:	420.098918
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	3.72
IP(EA), eV:	-9.51(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations