Geometry & MOs

Info

ID:

411957

PubChem CID:

135084813

Reduced:

RhN2O8C40H43 (2)

Stoich.:

AB2C8D40E43 (2)

Weight, g/mol:

1358.603883

ΔHf, kcal/mol:

-304.44

Dipole, Da:

6.37

IP(EA), eV:

 -9.6(-4.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-1-(1-adamantyl)-2-[(2S)-2-(1-adamantyl)-1-[(2S)-2-(1-adamantyl)-1-[(2S)-2-(1-adamantyl)-2-(1,3-dioxoisoindol-2-yl)-1-hydroxyethyl]peroxy-2-(1,3-dioxoisoindol-2-yl)ethyl]peroxy-2-(1,3-dioxoisoindol-2-yl)ethyl]peroxy-2-hydroxyethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)[C@@H](C(O)OOC([C@H](C45CC6CC(C4)CC(C6)C5)N7C(=O)C8=CC=CC=C8C7=O)OOC([C@H](C91CC2CC(C9)CC(C2)C1)N1C(=O)C2=CC=CC=C2C1=O)OOC([C@H](C12CC3CC(C1)CC(C3)C2)N1C(=O)C2=CC=CC=C2C1=O)O)N1C(=O)C2=CC=CC=C2C1=O.[Rh].[Rh]

DOS

IR

Vibrations