Geometry & MOs

Info

ID:	86656
PubChem CID:	49888300
Reduced:	NSCl2O4H23C30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	444.90364
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	2.32
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(5-iodofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations