Geometry & MOs

Info

ID:	17200
PubChem CID:	487652
Reduced:	SCl2N4O4H14C20 (1)
Stoich.:	AB2C4D4E14F20 (1)
Weight, g/mol:	476.011281
ΔH_f, kcal/mol:	12.36
Dipole, Da:	8.81
IP(EA), eV:	-9.15(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-1-(2-nitrophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CC(=C(C=C3N=C2CCC4=CC=CC=N4)Cl)Cl

DOS

IR

Vibrations