Geometry & MOs

Info

ID:	87232
PubChem CID:	49893389
Reduced:	BrSCl2N2O3H11C19 (1)
Stoich.:	ABC2D2E3F11G19 (1)
Weight, g/mol:	463.041185
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	5.18
IP(EA), eV:	-9.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC#N)/SC2=O

DOS

IR

Vibrations