Geometry & MOs

Info

ID:

382340

PubChem CID:

134973426

Reduced:

O13H36C39 (1)

Stoich.:

A13B36C39 (1)

Weight, g/mol:

737.222074

ΔHf, kcal/mol:

-441.7

Dipole, Da:

3.31

IP(EA), eV:

 -9.99(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4S,5R)-5-azido-4-benzoyloxy-2-methoxy-6-[(1S,2R)-1,2,3-tribenzoyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@]1(C[C@@H]([C@@H](C(O1)[C@@H]([C@@H](COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)OC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations