Geometry & MOs

Info

ID:	26678
PubChem CID:	794580
Reduced:	ClNOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	192.035734
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	3.37
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations