Geometry & MOs

Info

ID:

85310

PubChem CID:

49873695

Reduced:

FO10C12H21 (1)

Stoich.:

AB10C12D21 (1)

Weight, g/mol:

1288.349381

ΔHf, kcal/mol:

-499.75

Dipole, Da:

4.19

IP(EA), eV:

 -10.39(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2R,3R,4S,5R,6R)-3,5-dibenzoyloxy-6-(diphenoxyphosphoryloxymethyl)-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C([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)CF)O)O)O)O)O)O)O

DOS

IR

Vibrations