Geometry & MOs

Info

ID:	178297
PubChem CID:	76310009
Reduced:	N2O2H20C25 (1)
Stoich.:	A2B2C20D25 (1)
Weight, g/mol:	425.989962
ΔH_f, kcal/mol:	7.7
Dipole, Da:	1.87
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5Z)-5-[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=C(C=C4N3C=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations