Geometry & MOs

Info

ID:

1487

PubChem CID:

4584

Reduced:

O13C44H68 (1)

Stoich.:

A13B44C68 (1)

Weight, g/mol:

804.465992

ΔHf, kcal/mol:

-631.2

Dipole, Da:

6.5

IP(EA), eV:

 -9.46(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O

DOS

IR

Vibrations