Geometry & MOs

Info

ID:	414902
PubChem CID:	135087874
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	341.129694
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	3.72
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-propylsulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations