Geometry & MOs

Info

ID:	70012
PubChem CID:	47206694
Reduced:	ClNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	275.038292
ΔH_f, kcal/mol:	-169.76
Dipole, Da:	2.29
IP(EA), eV:	-9.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CS(=O)(=O)CC1=CC=CC=C1Cl

DOS

IR

Vibrations