Geometry & MOs

Info

ID:	240636
PubChem CID:	93616901
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	275.038292
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	3.14
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2-chlorophenyl)methyl]-2-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H](C)S(=O)(=O)C)C

DOS

IR

Vibrations