Geometry & MOs

Info

ID:	171188
PubChem CID:	75341545
Reduced:	ISN3O6C26H26 (1)
Stoich.:	ABC3D6E26F26 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-161.35
Dipole, Da:	4.37
IP(EA), eV:	-8.77(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-2-piperidin-1-ylethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCC3)I)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations