Geometry & MOs

Info

ID:	88891
PubChem CID:	49957411
Reduced:	SN3O4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	8.69
IP(EA), eV:	-9.58(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC(=O)O

DOS

IR

Vibrations