Geometry & MOs

Info

ID:

322016

PubChem CID:

126668277

Reduced:

N2F3O4C18H27 (1)

Stoich.:

A2B3C4D18E27 (1)

Weight, g/mol:

988.384626

ΔHf, kcal/mol:

-363.94

Dipole, Da:

5.64

IP(EA), eV:

-9.87(0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,3S,5S)-2-[(2R,3S,5R)-2-[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S)-4-hydroxy-3-[(1R,2S)-1,2,3-trihydroxypropoxy]butan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CC2C[C@@H]([C@@H](C1N(C2)C(=O)CC(F)(F)F)O)C=C

DOS

IR

Vibrations