Geometry & MOs

Info

ID:	378439
PubChem CID:	134224520
Reduced:	NO7C28H53 (1)
Stoich.:	AB7C28D53 (1)
Weight, g/mol:	375.298473
ΔH_f, kcal/mol:	-411.17
Dipole, Da:	5.84
IP(EA), eV:	-9.27(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R)-2-(2,3-dihexoxypropyl)piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OCC(C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O)OC(=O)CCCCCCCCC

DOS

IR

Vibrations