Geometry & MOs

Info

ID:

13020

PubChem CID:

220003

Reduced:

O8C9H16 (2)

Stoich.:

A8B9C16 (2)

Weight, g/mol:

504.169035

ΔHf, kcal/mol:

-724.23

Dipole, Da:

6.68

IP(EA), eV:

 -10.55(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O

DOS

IR

Vibrations