Geometry & MOs

Info

ID:	393601
PubChem CID:	135021182
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	377.119798
ΔH_f, kcal/mol:	-1.34
Dipole, Da:	8.38
IP(EA), eV:	-9.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)/C(=C\C#N)/C2

DOS

IR

Vibrations