Geometry & MOs

Info

ID:

1438

PubChem CID:

4439

Reduced:

O11C42H70 (1)

Stoich.:

A11B42C70 (1)

Weight, g/mol:

750.491813

ΔHf, kcal/mol:

-586.39

Dipole, Da:

11.64

IP(EA), eV:

 -9.52(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C1C(CC(C2(O1)C=CC(C3(O2)CCC(O3)(C)C4CCC(C(O4)C)(CC)O)O)C)C)C(=O)C(C)C(C(C)C5C(CC(C(O5)C(C)C(=O)O)C)C)O

DOS

IR

Vibrations