Geometry & MOs

Info

ID:

394524

PubChem CID:

135023139

Reduced:

O7C12H20 (2)

Stoich.:

A7B12C20 (2)

Weight, g/mol:

690.1887

ΔHf, kcal/mol:

-550.95

Dipole, Da:

4.22

IP(EA), eV:

 -9.19(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6S,8aR)-7-(2-bromoacetyl)oxy-2-phenyl-6-[[(3R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CO[C@@H]1C(O[C@H](C(C1OC)OC)OC)COC(=O)/C=C/C(=O)OCC2[C@@H](C(C([C@@H](O2)OC)OC)OC)OC

DOS

IR

Vibrations