Geometry & MOs

Info

ID:	28086
PubChem CID:	825454
Reduced:	NSCl2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	339.028932
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	5.39
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations