Geometry & MOs

Info

ID:	87917
PubChem CID:	49898595
Reduced:	BrFNSO4H21C29 (1)
Stoich.:	ABCDE4F21G29 (1)
Weight, g/mol:	416.083078
ΔH_f, kcal/mol:	-90.23
Dipole, Da:	3.93
IP(EA), eV:	-8.89(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-2-ylmethyl)-5-[(E)-3-(2-nitrophenyl)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=CC4=CC=CC=C43)Br)OCC5=CC=CC=C5F

DOS

IR

Vibrations