Geometry & MOs

Info

ID:	124105
PubChem CID:	50872760
Reduced:	NSO3Cl4H13C23 (1)
Stoich.:	ABC3D4E13F23 (1)
Weight, g/mol:	455.01497
ΔH_f, kcal/mol:	-56.64
Dipole, Da:	5.94
IP(EA), eV:	-9.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(3,4-dichlorophenyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)C3=CC(=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations