Geometry & MOs

Info

ID:	326884
PubChem CID:	126688556
Reduced:	FNaSO3C4H8 (1)
Stoich.:	ABCD3E4F8 (1)
Weight, g/mol:	461.167474
ΔH_f, kcal/mol:	-234.51
Dipole, Da:	8.83
IP(EA), eV:	-10.13(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(2-oxopiperazin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CF)CS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations