Geometry & MOs

Info

ID:

329068

PubChem CID:

126731031

Reduced:

O11C24H45 (2)

Stoich.:

A11B24C45 (2)

Weight, g/mol:

688.118928

ΔHf, kcal/mol:

-1107.54

Dipole, Da:

7.57

IP(EA), eV:

 -10.18(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C(CCCCCCCCCCCCOC1[C@@H](C([C@H](C(O1)CO)OC2[C@@H](C([C@H](C(O2)CO)O)O)O)O)O)CCCCCCCCCCCO[C@H]3C([C@H]([C@@H](C(O3)CO)O[C@@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)O

DOS

IR

Vibrations