Geometry & MOs

Info

ID:	88020
PubChem CID:	49899944
Reduced:	ClNS2O6H20C28 (1)
Stoich.:	ABC2D6E20F28 (1)
Weight, g/mol:	457.03062
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	5.02
IP(EA), eV:	-8.85(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations