Geometry & MOs

Info

ID:

3021

PubChem CID:

9055

Reduced:

O16C27H30 (1)

Stoich.:

A16B27C30 (1)

Weight, g/mol:

610.153385

ΔHf, kcal/mol:

-619.42

Dipole, Da:

3.01

IP(EA), eV:

 -9.22(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

DOS

IR

Vibrations