Geometry & MOs

Info

ID:	88303
PubChem CID:	49902854
Reduced:	BrClNSO2H11C17 (1)
Stoich.:	ABCDE2F11G17 (1)
Weight, g/mol:	406.93824
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	2.36
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=O)Br

DOS

IR

Vibrations