Geometry & MOs

Info

ID:	53028
PubChem CID:	14709421
Reduced:	OSN4H14C19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	362.083747
ΔH_f, kcal/mol:	117.66
Dipole, Da:	8.62
IP(EA), eV:	-8.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-methoxyphenyl)-4-oxo-5-(phenylhydrazinylidene)thiolane-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations