Geometry & MOs

Info

ID:	87252
PubChem CID:	49893445
Reduced:	INSCl2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	467.994963
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	5.36
IP(EA), eV:	-9.32(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations