Geometry & MOs

Info

ID:	87728
PubChem CID:	49896838
Reduced:	BrSCl2N2O6H21C24 (1)
Stoich.:	ABC2D2E6F21G24 (1)
Weight, g/mol:	560.0478
ΔH_f, kcal/mol:	-181.76
Dipole, Da:	2.51
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)Br)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations