Geometry & MOs

Info

ID:

1330

PubChem CID:

4179

Reduced:

O5C19H19 (2)

Stoich.:

A5B19C19 (2)

Weight, g/mol:

654.246497

ΔHf, kcal/mol:

-285.71

Dipole, Da:

3.2

IP(EA), eV:

 -9.42(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] 5-phenylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC=CC8=CC=CC=C8

DOS

IR

Vibrations