Geometry & MOs

Info

ID:	88117
PubChem CID:	49901593
Reduced:	NSCl2O3H19C28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	423.968748
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	2.79
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=C(C=C4)OCC5=CC=CC=C5Cl)Cl)/SC3=O

DOS

IR

Vibrations