Geometry & MOs

Info

ID:	232036
PubChem CID:	87575235
Reduced:	ZrO2C20H40 (1)
Stoich.:	AB2C20D40 (1)
Weight, g/mol:	445.098394
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	4.35
IP(EA), eV:	-6.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC.[Zr]

DOS

IR

Vibrations