Geometry & MOs

Info

ID:	142597
PubChem CID:	53064157
Reduced:	SF3N4O4C21H23 (1)
Stoich.:	AB3C4D4E21F23 (1)
Weight, g/mol:	482.159946
ΔH_f, kcal/mol:	-248.96
Dipole, Da:	6.72
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(3-phenylpropyl)propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)CCC(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations