Geometry & MOs

Info

ID:	414869
PubChem CID:	135087841
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	5.87
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(6-oxo-1H-pyridine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)CC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations