Geometry & MOs

Info

ID:	422909
PubChem CID:	135118598
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	345.104622
ΔH_f, kcal/mol:	-112.65
Dipole, Da:	5.66
IP(EA), eV:	-9.11(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-fluorophenyl)sulfonyl-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C3=C(C=CC=N3)C(=O)O

DOS

IR

Vibrations