Geometry & MOs

Info

ID:	417460
PubChem CID:	135094900
Reduced:	FO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	2.8
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(3-hydroxy-2-methylbenzoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CNC(=C(C1=O)C)CNC(=O)COCC2=NC3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations