Geometry & MOs

Info

ID:	87012
PubChem CID:	49890506
Reduced:	NSBr2O5H7C12 (1)
Stoich.:	ABC2D5E7F12 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	4.18
IP(EA), eV:	-10.12(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)OCC(=O)O)Br)/C=C\2/C(=O)NC(=O)S2

DOS

IR

Vibrations