Geometry & MOs

Info

ID:	223736
PubChem CID:	85335498
Reduced:	FSO3N6C26H27 (1)
Stoich.:	ABC3D6E26F27 (1)
Weight, g/mol:	522.165639
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	6.74
IP(EA), eV:	-8.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methylidene]-2-(3-fluorophenyl)-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=C2)N3CC(OC3=O)CNC(=S)N)F)C(=O)C=CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations