Geometry & MOs

Info

ID:	421061
PubChem CID:	135115303
Reduced:	SN2O3C12H24 (1)
Stoich.:	AB2C3D12E24 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-141.55
Dipole, Da:	3.42
IP(EA), eV:	-9.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC[C@@]2(C1)CCC[C@H]2OC

DOS

IR

Vibrations