Geometry & MOs

Info

ID:	87840
PubChem CID:	49897864
Reduced:	NSCl2O2H13C21 (1)
Stoich.:	ABC2D2E13F21 (1)
Weight, g/mol:	428.155849
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	2.35
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-1-ylmethyl)-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/SC3=O

DOS

IR

Vibrations