Geometry & MOs

Info

ID:	28532
PubChem CID:	828150
Reduced:	ClN2O4H9C16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	194.051384
ΔH_f, kcal/mol:	5.2
Dipole, Da:	7.37
IP(EA), eV:	-9.92(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3-methyl-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O2)Cl

DOS

IR

Vibrations