Geometry & MOs

Info

ID:	242644
PubChem CID:	97857716
Reduced:	ClFNO3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	5.49
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CN([C@@H](CO)C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations