Geometry & MOs

Info

ID:	398687
PubChem CID:	135034811
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	393.139865
ΔH_f, kcal/mol:	64.38
Dipole, Da:	4.25
IP(EA), eV:	-9.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-methyl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC12CC(C(C1C=O)C3=CC=CC=C3)C(=C(C#N)C#N)C2

DOS

IR

Vibrations