Geometry & MOs

Info

ID:	421224
PubChem CID:	135115617
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	1.94
Dipole, Da:	3.01
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCC2)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations