Geometry & MOs

Info

ID:	53025
PubChem CID:	14709415
Reduced:	OSN2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	376.088164
ΔH_f, kcal/mol:	53.08
Dipole, Da:	4.67
IP(EA), eV:	-9.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(C(=O)CS2)(C#N)C#N

DOS

IR

Vibrations