Geometry & MOs

Info

ID:	70049
PubChem CID:	47207202
Reduced:	ClNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	1.6
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-ethylsulfonylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C(C)C(=O)NC1=CC(=C(C=C1)C)Cl

DOS

IR

Vibrations