Geometry & MOs

Info

ID:	87983
PubChem CID:	49899353
Reduced:	NSO2Cl4H9C17 (1)
Stoich.:	ABC2D4E9F17 (1)
Weight, g/mol:	504.88032
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	4.62
IP(EA), eV:	-9.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations