Geometry & MOs

Info

ID:	53024
PubChem CID:	14709414
Reduced:	SN2O2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	242.051384
ΔH_f, kcal/mol:	21.95
Dipole, Da:	5.01
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-4-oxothiolane-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=O)CS2)(C#N)C#N

DOS

IR

Vibrations