Geometry & MOs

Info

ID:	223664
PubChem CID:	85335387
Reduced:	ClN3O7C22H24 (1)
Stoich.:	AB3C7D22E24 (1)
Weight, g/mol:	478.170197
ΔH_f, kcal/mol:	-251.16
Dipole, Da:	8.33
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)methylidene]-3-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1C2CC3CC(=O)C(C(=O)C3(C(=O)C2C(=O)C4=C1C(=C(C(=C4O)N)Cl)N(C)C)O)C(=O)N

DOS

IR

Vibrations