Geometry & MOs

Info

ID:	419397
PubChem CID:	135108116
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	2.57
Dipole, Da:	5.59
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations