Geometry & MOs

Info

ID:

318585

PubChem CID:

126652123

Reduced:

ON2C15H19 (2)

Stoich.:

AB2C15D19 (2)

Weight, g/mol:

876.222123

ΔHf, kcal/mol:

-44.75

Dipole, Da:

7.93

IP(EA), eV:

 -7.92(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

[(3S,4R,6R)-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

CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)N(C5=C(C2=O)C6=C(N5)C=C(C=C6)C)C(C)C

DOS

IR

Vibrations