Geometry & MOs

Info

ID:

21863

PubChem CID:

592854

Reduced:

O16H34C37 (1)

Stoich.:

A16B34C37 (1)

Weight, g/mol:

734.184685

ΔHf, kcal/mol:

-602.19

Dipole, Da:

4.9

IP(EA), eV:

 -8.87(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-acetyloxy-2-(4-acetyloxy-3-methoxyphenyl)-5-(3,5,7-triacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(OC2=C1C=C(C=C2OC(=O)C)C3C(C(=O)C4=C(O3)C=C(C=C4OC(=O)C)OC(=O)C)OC(=O)C)C5=CC(=C(C=C5)OC(=O)C)OC

DOS

IR

Vibrations