Geometry & MOs

Info

ID:	393604
PubChem CID:	135021186
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	5.79
Dipole, Da:	7.2
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C/C#N)/C(C2)(C)CC#N

DOS

IR

Vibrations