Geometry & MOs

Info

ID:

321919

PubChem CID:

126667359

Reduced:

O2C13H22 (1)

Stoich.:

A2B13C22 (1)

Weight, g/mol:

1153.300547

ΔHf, kcal/mol:

-101.96

Dipole, Da:

0.92

IP(EA), eV:

-9.28(1.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[5-acetamido-6-[[5-acetamido-6-[[5-acetamido-6-[1-(aziridin-2-yl)propan-2-yloxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1CCC(=CC1)COC[C@@H]2CCCCO2

DOS

IR

Vibrations