Geometry & MOs

Info

ID:	414526
PubChem CID:	135087485
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	4.4
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC=C1)NC2CCN(CC2)CCSC

DOS

IR

Vibrations