Geometry & MOs

Info

ID:	53027
PubChem CID:	14709418
Reduced:	OSN2H16C21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	346.088832
ΔH_f, kcal/mol:	84.23
Dipole, Da:	7.22
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-methylphenyl)hydrazinylidene]-4-oxo-2-phenylthiolane-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C\2/C(=O)C(C(S2)C3=CC=C(C=C3)C)(C#N)C#N

DOS

IR

Vibrations