Geometry & MOs

Info

ID:	414375
PubChem CID:	135087331
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-200.99
Dipole, Da:	5.46
IP(EA), eV:	-9.56(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-fluoro-5-methylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)N1CCC[C@@]2(C1)CCC[C@H]2O

DOS

IR

Vibrations