Geometry & MOs

Info

ID:	87886
PubChem CID:	49898352
Reduced:	NSBr2O5H15C23 (1)
Stoich.:	ABC2D5E15F23 (1)
Weight, g/mol:	416.083078
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	2.19
IP(EA), eV:	-9.04(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-2-ylmethyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=C(C(=CC(=C4)Br)Br)OCC(=O)O)/SC3=O

DOS

IR

Vibrations