Geometry & MOs

Info

ID:	88046
PubChem CID:	49900159
Reduced:	BrSCl2N2O6H19C26 (1)
Stoich.:	ABC2D2E6F19G26 (1)
Weight, g/mol:	433.989483
ΔH_f, kcal/mol:	-92.06
Dipole, Da:	7.16
IP(EA), eV:	-9.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(E)-3-(3-nitrophenyl)prop-2-enylidene]-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=CC=C3Cl)Cl)Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations