Geometry & MOs

Info

ID:

176033

PubChem CID:

75984960

Reduced:

O9C27H34 (1)

Stoich.:

A9B27C34 (1)

Weight, g/mol:

516.235933

ΔHf, kcal/mol:

-328.49

Dipole, Da:

2.08

IP(EA), eV:

 -8.33(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) pentanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC

DOS

IR

Vibrations