Geometry & MOs

Info

ID:

449352

PubChem CID:

135297873

Reduced:

OF2N5H25C26 (1)

Stoich.:

AB2C5D25E26 (1)

Weight, g/mol:

625.252574

ΔHf, kcal/mol:

-8.93

Dipole, Da:

4.64

IP(EA), eV:

 -9.52(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,5R,6R)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3-methylphenyl)triazol-1-yl]oxan-2-yl]methyl]-4-[4-(3-(18F)fluoranylphenyl)triazol-1-yl]-6-(hydroxymethyl)oxane-3,5-diol

Drug info:

PubChemData

Smile

CCC1C2=CC(=NN=C2C(C1(C)C)(C)C3=NC=CC(=N3)C4=COC(=N4)C)C5=C(C=CC=C5F)F

DOS

IR

Vibrations