Geometry & MOs

Info

ID:	88314
PubChem CID:	49902892
Reduced:	SN2O6H24C30 (1)
Stoich.:	AB2C6D24E30 (1)
Weight, g/mol:	640.90186
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	6.88
IP(EA), eV:	-8.81(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-ethoxy-3,5-diiodophenyl)methylidene]-3-(naphthalen-1-ylmethyl)-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=CC4=CC=CC=C43)OCC5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations