Geometry & MOs

Info

ID:	86590
PubChem CID:	49887474
Reduced:	ISCl2N2O5H23C28 (1)
Stoich.:	ABC2D2E5F23G28 (1)
Weight, g/mol:	362.988755
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(3-chlorophenyl)methylidene]-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=CC=C(C=C3)Cl)I)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations