Geometry & MOs

Info

ID:	415683
PubChem CID:	135088682
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-118.98
Dipole, Da:	3.72
IP(EA), eV:	-9.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations