Geometry & MOs

Info

ID:	134326
PubChem CID:	51681007
Reduced:	SN2O5H14C19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	256.102334
ΔH_f, kcal/mol:	26.91
Dipole, Da:	15.43
IP(EA), eV:	-9.42(-3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2,4-difluorophenyl)-3-hydroxypiperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)[O-])/C=C/3\C(=NC(=S)N3)[O-]

DOS

IR

Vibrations