Geometry & MOs

Info

ID:	159215
PubChem CID:	57264415
Reduced:	NSO3C22H35 (1)
Stoich.:	ABC3D22E35 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	5.87
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-3-(3-ethoxy-3-oxoprop-1-ynyl)-3-hydroxy-2-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=S)NC1=CC(=CC=C1)OC)C(=O)O

DOS

IR

Vibrations