Geometry & MOs

Info

ID:

85308

PubChem CID:

49873659

Reduced:

O12C67H74 (1)

Stoich.:

A12B67C74 (1)

Weight, g/mol:

358.127525

ΔHf, kcal/mol:

-351.59

Dipole, Da:

2.48

IP(EA), eV:

 -9.39(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations