Geometry & MOs

Info

ID:

127479

PubChem CID:

51003417

Reduced:

O4C11H18 (4)

Stoich.:

A4B11C18 (4)

Weight, g/mol:

408.105647

ΔHf, kcal/mol:

-784.55

Dipole, Da:

7.59

IP(EA), eV:

 -9.79(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,6-dihydroxyphenyl)-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1

DOS

IR

Vibrations