Geometry & MOs

Info

ID:	88404
PubChem CID:	49903309
Reduced:	BrNSI2O3H12C20 (1)
Stoich.:	ABCD2E3F12G20 (1)
Weight, g/mol:	440.89927
ΔH_f, kcal/mol:	43.94
Dipole, Da:	2.05
IP(EA), eV:	-9.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)I

DOS

IR

Vibrations