Geometry & MOs

Info

ID:	393603
PubChem CID:	135021184
Reduced:	SO2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	33.39
Dipole, Da:	8.41
IP(EA), eV:	-9.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E)-4-(cyanomethylidene)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(/C(=C\C#N)/C2C3=CC=CC=C3)CC#N

DOS

IR

Vibrations