Geometry & MOs

Info

ID:	146078
PubChem CID:	53632651
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	473.202465
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	3.52
IP(EA), eV:	-10.03(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S,5S)-2-(hydroxymethyl)-5-tritylsulfanylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@@H]1C(=CCC(=O)C)C1(C)C

DOS

IR

Vibrations