Geometry & MOs

Info

ID:

214515

PubChem CID:

85083143

Reduced:

O12C27H28 (1)

Stoich.:

A12B27C28 (1)

Weight, g/mol:

544.271763

ΔHf, kcal/mol:

-451.36

Dipole, Da:

6.86

IP(EA), eV:

 -8.85(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[5-[3-amino-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-trimethylazanium

Drug info:

PubChemData

Smile

CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C=C7)O)O)O)O

DOS

IR

Vibrations