Geometry & MOs

Info

ID:	22218
PubChem CID:	596316
Reduced:	ClOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	331.054611
ΔH_f, kcal/mol:	12.62
Dipole, Da:	8.13
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations