Geometry & MOs

Info

ID:

4036

PubChem CID:

10622

Reduced:

O15C28H32 (1)

Stoich.:

A15B28C32 (1)

Weight, g/mol:

608.17412

ΔHf, kcal/mol:

-596.1

Dipole, Da:

6.25

IP(EA), eV:

 -9.05(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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-5-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=CC(=O)C4=C(C=C(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

DOS

IR

Vibrations