Geometry & MOs

Info

ID:	86549
PubChem CID:	49887000
Reduced:	ISN2O4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	356.046693
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	2.26
IP(EA), eV:	-8.92(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-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=CC=C3)I)OCC4=CC=CC=N4

DOS

IR

Vibrations