Geometry & MOs

Info

ID:

576

PubChem CID:

3020

Reduced:

OH3C4 (14)

Stoich.:

AB3C4 (14)

Weight, g/mol:

938.257456

ΔHf, kcal/mol:

-388.85

Dipole, Da:

5.3

IP(EA), eV:

 -8.51(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,16-bis(4-hydroxyphenyl)-9-[4,6,9,12-tetrahydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C3C4=C(C(C(C5=C3C(=CC(=C5)O)O2)(C6(C(C7=C(C=C(C=C7O)O)C8C(OC9=CC(=CC6=C89)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O)O)C1=CC=C(C=C1)O)C(=CC(=C4)O)O)O

DOS

IR

Vibrations