Geometry & MOs

Info

ID:

381256

PubChem CID:

134971937

Reduced:

N3O8C25H33 (1)

Stoich.:

A3B8C25D33 (1)

Weight, g/mol:

346.174001

ΔHf, kcal/mol:

-263.83

Dipole, Da:

4.98

IP(EA), eV:

 -9.59(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,5S)-5-acetamido-4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@H]([C@@H]([C@H]2[C@H]1OC([C@@]([C@@H]2N=[N+]=[N-])(C)O)OC3CCCCO3)C=O)OCC4=CC=CC=C4

DOS

IR

Vibrations