Geometry & MOs

Info

ID:	87212
PubChem CID:	49893240
Reduced:	SCl2N2O5H12C18 (1)
Stoich.:	AB2C2D5E12F18 (1)
Weight, g/mol:	432.90786
ΔH_f, kcal/mol:	-78.78
Dipole, Da:	8.38
IP(EA), eV:	-9.66(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations