Geometry & MOs

Info

ID:

298089

PubChem CID:

117647482

Reduced:

O21H38C46 (1)

Stoich.:

A21B38C46 (1)

Weight, g/mol:

532.200335

ΔHf, kcal/mol:

-768.34

Dipole, Da:

1.81

IP(EA), eV:

 -8.87(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C(=C3O)CC4=C(C5=C(C=C4O)O[C@@H]([C@@H](C5)OC(=O)C6=CC(=C(C(=C6)O)O)O)C7=CC(=C(C(=C7)O)O)O)O)O)O[C@@H]2C8=CC(=C(C(=C8)O)O)O

DOS

IR

Vibrations