Geometry & MOs

Info

ID:

411959

PubChem CID:

135084815

Reduced:

RhN2S2O8C46H75 (2)

Stoich.:

AB2C2D8E46F75 (2)

Weight, g/mol:

1694.99297

ΔHf, kcal/mol:

-640.75

Dipole, Da:

8.95

IP(EA), eV:

 -9.05(-4.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-(4-dodecylphenyl)sulfonylpyrrolidin-2-yl]-[[(2S)-1-(4-dodecylphenyl)sulfonylpyrrolidin-2-yl]-[[(2S)-1-(4-dodecylphenyl)sulfonylpyrrolidin-2-yl]-[[(2S)-1-(4-dodecylphenyl)sulfonylpyrrolidin-2-yl]-hydroxymethyl]peroxymethyl]peroxymethyl]peroxymethanol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(O)OOC([C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)CCCCCCCCCCCC)OOC([C@@H]5CCCN5S(=O)(=O)C6=CC=C(C=C6)CCCCCCCCCCCC)OOC([C@@H]7CCCN7S(=O)(=O)C8=CC=C(C=C8)CCCCCCCCCCCC)O.[Rh].[Rh]

DOS

IR

Vibrations