Geometry & MOs

Info

ID:	88084
PubChem CID:	49900755
Reduced:	NSBr2O3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	413.004405
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	1.61
IP(EA), eV:	-9.01(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(naphthalen-1-ylmethyl)-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)O)/SC3=O

DOS

IR

Vibrations