Geometry & MOs

Info

ID:	60532
PubChem CID:	26697145
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	400.106848
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	3.27
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2

DOS

IR

Vibrations