Geometry & MOs

Info

ID:	87276
PubChem CID:	49893564
Reduced:	NSCl2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	576.83395
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	4.8
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations