Geometry & MOs

Info

ID:	87219
PubChem CID:	49893290
Reduced:	BrNSCl2O6H20C27 (1)
Stoich.:	ABCD2E6F20G27 (1)
Weight, g/mol:	470.90983
ΔH_f, kcal/mol:	-165.93
Dipole, Da:	8.69
IP(EA), eV:	-9.27(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]-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=C(C=C(C=C3)Cl)Cl)Br)OC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations