Geometry & MOs

Info

ID:	87912
PubChem CID:	49898567
Reduced:	BrNSO4H20C24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	422.99286
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	5.45
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromophenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)Br)OC

DOS

IR

Vibrations