Geometry & MOs

Info

ID:	87901
PubChem CID:	49898497
Reduced:	BrNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	573.04708
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	5.28
IP(EA), eV:	-8.79(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-ethoxy-5-iodo-4-propoxyphenyl)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=CC4=CC=CC=C4C=C3)Br)OCC5=CC=CC=C5

DOS

IR

Vibrations