Geometry & MOs

Info

ID:

21849

PubChem CID:

592252

Reduced:

O19C61H64 (1)

Stoich.:

A19B61C64 (1)

Weight, g/mol:

1100.40418

ΔHf, kcal/mol:

-619.24

Dipole, Da:

4.39

IP(EA), eV:

 -8.31(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3-acetyloxy-6-[3-acetyloxy-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2=CC(=C(C(=C2OC1C3=CC(=C(C=C3)OC)OC)OC)OC)C4C(C(OC5=CC(=C(C=C45)C6C(C(OC7=C6C=CC(=C7)OC)C8=CC(=C(C=C8)OC)OC)OC(=O)C)OC)C9=CC(=C(C=C9)OC)OC)OC(=O)C

DOS

IR

Vibrations