Geometry & MOs

Info

ID:	53026
PubChem CID:	14709417
Reduced:	SN2O3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	344.098334
ΔH_f, kcal/mol:	21.95
Dipole, Da:	8.38
IP(EA), eV:	-8.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxothiolane-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/C(=O)C(C(S2)C3=CC=C(C=C3)OC)(C#N)C#N

DOS

IR

Vibrations