Geometry & MOs

Info

ID:

383531

PubChem CID:

134975301

Reduced:

O18C29H38 (1)

Stoich.:

A18B29C38 (1)

Weight, g/mol:

466.329439

ΔHf, kcal/mol:

-758.42

Dipole, Da:

4.96

IP(EA), eV:

 -10.28(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-[(3R)-3-hydroxy-3-[(2R,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]propyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC#C)OC(=O)C)OC(=O)C)O[C@H]2C(C([C@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations