Geometry & MOs

Info

ID:	88405
PubChem CID:	49903318
Reduced:	BrNSCl2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	452.88568
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	1.92
IP(EA), eV:	-9.56(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)Cl)Cl)/SC2=O)Br

DOS

IR

Vibrations