Geometry & MOs

Info

ID:	87993
PubChem CID:	49899456
Reduced:	INSCl2O6H16C21 (1)
Stoich.:	ABCD2E6F16G21 (1)
Weight, g/mol:	445.134779
ΔH_f, kcal/mol:	-166.25
Dipole, Da:	5.99
IP(EA), eV:	-9.1(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-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=CC(=C(C=C3)Cl)Cl)I)OCC(=O)OC

DOS

IR

Vibrations