Geometry & MOs

Info

ID:	41514
PubChem CID:	8146057
Reduced:	ClON5H10C15 (1)
Stoich.:	ABC5D10E15 (1)
Weight, g/mol:	406.960826
ΔH_f, kcal/mol:	88.23
Dipole, Da:	3.72
IP(EA), eV:	-9.68(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=C(C=CC(=C3)Cl)C#N

DOS

IR

Vibrations