Geometry & MOs

Info

ID:	139521
PubChem CID:	52548130
Reduced:	SN2O3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	-92.95
Dipole, Da:	5.43
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-(4-methylphenyl)sulfonylamino]-N-phenyl-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(CC=C)C3=CC=CC=C3)C)C

DOS

IR

Vibrations