Geometry & MOs

Info

ID:	342923
PubChem CID:	127266086
Reduced:	NSO5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	353.191483
ΔH_f, kcal/mol:	-188.7
Dipole, Da:	2.36
IP(EA), eV:	-9.34(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,3R)-3-aminooxolan-2-yl]-N-[1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)OC)CC(=O)OC

DOS

IR

Vibrations