Geometry & MOs

Info

ID:

329101

PubChem CID:

126731255

Reduced:

PF2N4O11C29H31 (1)

Stoich.:

AB2C4D11E29F31 (1)

Weight, g/mol:

518.184685

ΔHf, kcal/mol:

-543.4

Dipole, Da:

4.99

IP(EA), eV:

 -9.35(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1C(C([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC4=C(C=C3)OCO4)(F)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations