Geometry & MOs

Info

ID:	158422
PubChem CID:	56463617
Reduced:	OSN2C19H30 (1)
Stoich.:	ABC2D19E30 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	3.97
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CSC1=CC=C(C=C1)C(C)(C)C)N(C)C2CC2

DOS

IR

Vibrations