Geometry & MOs

Info

ID:

394676

PubChem CID:

135023490

Reduced:

NS3O17C53H75 (1)

Stoich.:

AB3C17D53E75 (1)

Weight, g/mol:

699.416644

ΔHf, kcal/mol:

-739.65

Dipole, Da:

9.47

IP(EA), eV:

 -9.32(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H](CC[C@H]([C@H](C)[C@H]1C[C@@H](OC(O1)(C)C)CC[C@@H]([C@@H](C)C(=O)C[C@H](CC[C@H]([C@H](C)C(=O)N2[C@H](COC2=O)C3=CC=CC=C3)OS(=O)(=O)C)OCC4=CC=CC=C4)OS(=O)(=O)C)OS(=O)(=O)C)OCC5=CC=CC=C5

DOS

IR

Vibrations