Geometry & MOs

Info

ID:	268359
PubChem CID:	103599078
Reduced:	ClSN2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	331.087829
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	10.35
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)sulfonyl-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)NS(=O)(=O)CC2=CN=C(C=C2)Cl

DOS

IR

Vibrations