Geometry & MOs

Info

ID:

394725

PubChem CID:

135023643

Reduced:

O7C27H40 (1)

Stoich.:

A7B27C40 (1)

Weight, g/mol:

754.450342

ΔHf, kcal/mol:

-349.12

Dipole, Da:

4.37

IP(EA), eV:

 -9.69(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations