Geometry & MOs

Info

ID:

7597

PubChem CID:

73468

Reduced:

O9C28H28 (1)

Stoich.:

A9B28C28 (1)

Weight, g/mol:

508.173332

ΔHf, kcal/mol:

-310.23

Dipole, Da:

9.55

IP(EA), eV:

 -8.21(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-ethenyl-1-hydroxy-10,12-dimethoxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@]([C@H]([C@@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)(C)O)O

DOS

IR

Vibrations