Geometry & MOs

Info

ID:

411956

PubChem CID:

135084812

Reduced:

BrON2C26H30 (2)

Stoich.:

ABC2D26E30 (2)

Weight, g/mol:

1564.41487

ΔHf, kcal/mol:

84.47

Dipole, Da:

10.85

IP(EA), eV:

 -7.04(-0.87)

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;rhodium

Drug info:

PubChemData

Smile

C=CCO[C@@H](C1CC2CC[N+]1(CC2C=C)CC3=CC=C(C=C3)C[N+]45CCC(CC4[C@@H](C6=CC=NC7=CC=CC=C67)OCC=C)C(C5)C=C)C8=CC=NC9=CC=CC=C89.[Br-].[Br-]

DOS

IR

Vibrations