Geometry & MOs

Info

ID:	163722
PubChem CID:	58874628
Reduced:	SF3N3O3H14C25 (1)
Stoich.:	AB3C3D3E14F25 (1)
Weight, g/mol:	642.248761
ΔH_f, kcal/mol:	-101.54
Dipole, Da:	6.53
IP(EA), eV:	-9.3(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)C4=CSC(=N4)C5=CC=C(C=C5)C(F)(F)F)C(=O)O

DOS

IR

Vibrations