Geometry & MOs

Info

ID:

318601

PubChem CID:

126652207

Reduced:

N2O3C18H26 (1)

Stoich.:

A2B3C18D26 (1)

Weight, g/mol:

876.222123

ΔHf, kcal/mol:

-104.73

Dipole, Da:

2.76

IP(EA), eV:

-8.96(-0.16)

Spin(Sz, S2):

None, None

Charge, e:

3

Chem-info

IUPAC name:

[(3S,4R,6S)-6-(aminomethoxy)-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-[(2R,4R,5S)-5-[[(2R,4R,5S)-5-[[(2R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-oxophosphaniumyl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-oxophosphaniumyl]oxy-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-oxophosphanium

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C(=O)N([C@H]2CCCC2N)C3CCC3

DOS

IR

Vibrations