Geometry & MOs

Info

ID:	163729
PubChem CID:	58874706
Reduced:	SF3N5O8H24C26 (1)
Stoich.:	AB3C5D8E24F26 (1)
Weight, g/mol:	572.170511
ΔH_f, kcal/mol:	-283.38
Dipole, Da:	3.67
IP(EA), eV:	-9.7(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hexanoylsulfamoyl)phenyl]-2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations