Geometry & MOs

Info

ID:	223557
PubChem CID:	85335228
Reduced:	OF3N6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	426.153262
ΔH_f, kcal/mol:	-68.56
Dipole, Da:	4.57
IP(EA), eV:	-9.1(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-2-(3-chlorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN(CCNC1=NC2=CC(=C(C=C2N=C1)F)F)C(=O)C3C(CNN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations