Geometry & MOs

Info

ID:

1852

PubChem CID:

5197

Reduced:

O5H21C25 (2)

Stoich.:

A5B21C25 (2)

Weight, g/mol:

802.277798

ΔHf, kcal/mol:

-202.52

Dipole, Da:

6.1

IP(EA), eV:

 -8.16(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[1,4-dihydroxy-3-[3-methyl-3-(4-methylpent-3-enyl)-7,9,10-trioxobenzo[f]chromen-8-ylidene]naphthalen-2-ylidene]-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,9,10-trione

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C(=C4C(=C5C(=O)C6=C(C7=C(C=C6)OC(C=C7)(C)CCC=C(C)C)C(=O)C5=O)C(=C8C=CC=CC8=C4O)O)C3=O)C)C

DOS

IR

Vibrations