Geometry & MOs

Info

ID:

297278

PubChem CID:

117614365

Reduced:

O5C17H24 (1)

Stoich.:

A5B17C24 (1)

Weight, g/mol:

443.200275

ΔHf, kcal/mol:

-199.39

Dipole, Da:

2.81

IP(EA), eV:

 -9.77(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5S,6R)-6-[(3S,4S,5S,6S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-methoxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CCCCO[C@@H]1[C@@H](CO[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)O

DOS

IR

Vibrations