Geometry & MOs

Info

ID:

17244

PubChem CID:

489929

Reduced:

O15C29H36 (1)

Stoich.:

A15B29C36 (1)

Weight, g/mol:

624.20542

ΔHf, kcal/mol:

-618.46

Dipole, Da:

3.23

IP(EA), eV:

 -8.28(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,7-dimethoxy-3,10-dimethyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C(=C2C(=O)O1)C)C(=CC(=C3)OC)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC

DOS

IR

Vibrations