Geometry & MOs

Info

ID:	342293
PubChem CID:	127265070
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	-112.41
Dipole, Da:	5.02
IP(EA), eV:	-8.88(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(4-methylphenyl)-N-(4-methylsulfonylphenyl)but-3-enamide

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1C(=O)CC=CC2=CC=C(C=C2)C

DOS

IR

Vibrations