Geometry & MOs

Info

ID:

47462

PubChem CID:

10532944

Reduced:

NCl3O15C27H40 (1)

Stoich.:

AB3C15D27E40 (1)

Weight, g/mol:

726.455837

ΔHf, kcal/mol:

-660.53

Dipole, Da:

5.48

IP(EA), eV:

 -9.68(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R,5S)-1-[(2R,4R,5R,6S)-6-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2-(4-methoxyphenyl)-5-triethylsilyloxy-1,3-dioxan-4-yl]-4-methyl-5-(2-trimethylsilylethoxymethoxy)hexan-2-ol

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OC)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC)OC)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)COC(=O)C

DOS

IR

Vibrations