Geometry & MOs

Info

ID:	421482
PubChem CID:	135116078
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-195.15
Dipole, Da:	7.15
IP(EA), eV:	-9.13(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-(2,4-dimethylphenoxy)ethyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC=C(C=C2)CO

DOS

IR

Vibrations