Geometry & MOs

Info

ID:	158197
PubChem CID:	56463144
Reduced:	ClN2S2O5C20H23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	458.112327
ΔH_f, kcal/mol:	-147.23
Dipole, Da:	5.09
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2Cl

DOS

IR

Vibrations