Geometry & MOs

Info

ID:	321098
PubChem CID:	126664786
Reduced:	SN2O5C8H16 (1)
Stoich.:	AB2C5D8E16 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-207.83
Dipole, Da:	6.99
IP(EA), eV:	-10.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

C=CCCS(=O)(=O)NCC(CNC(=O)O)O

DOS

IR

Vibrations