Geometry & MOs

Info

ID:	396451
PubChem CID:	135028434
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	16.72
Dipole, Da:	9.38
IP(EA), eV:	-9.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethenyl-1-(4-methylphenyl)sulfonyl-2-(2-phenylethenyl)pyrrolidine-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(C2C3=CC=CO3)(C#N)C#N)C=C

DOS

IR

Vibrations