Geometry & MOs

Info

ID:

411958

PubChem CID:

135084814

Reduced:

N2O8C40H43 (2)

Stoich.:

A2B8C40D43 (2)

Weight, g/mol:

1900.80396

ΔHf, kcal/mol:

-420.0

Dipole, Da:

4.69

IP(EA), eV:

 -9.44(-1.47)

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;rhodium

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

DOS

IR

Vibrations