Geometry & MOs

Info

ID:

404746

PubChem CID:

135070389

Reduced:

PC9O10H19 (1)

Stoich.:

AB9C10D19 (1)

Weight, g/mol:

466.179874

ΔHf, kcal/mol:

-522.44

Dipole, Da:

10.42

IP(EA), eV:

 -10.63(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R,5R)-5-acetamido-6-[1,2-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)[C@H]([C@@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O

DOS

IR

Vibrations