Geometry & MOs

Info

ID:	396453
PubChem CID:	135028436
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	433.182398
ΔH_f, kcal/mol:	24.55
Dipole, Da:	7.37
IP(EA), eV:	-9.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hex-1-enyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C(CC(C1C2=CC=CC=C2)(C#N)C#N)C=C

DOS

IR

Vibrations