Geometry & MOs

Info

ID:	70066
PubChem CID:	47207252
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	329.010027
ΔH_f, kcal/mol:	-166.74
Dipole, Da:	3.31
IP(EA), eV:	-8.75(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C(C)C(=O)NCCC1=CC=C(C=C1)OC

DOS

IR

Vibrations