Geometry & MOs

Info

ID:	134620
PubChem CID:	51727993
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	455.167891
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	3.33
IP(EA), eV:	-9.38(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-N-(1-benzoylpiperidin-4-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CN1C=CC=N1)NC(=O)C2CCCCC2

DOS

IR

Vibrations