Geometry & MOs

Info

ID:

411788

PubChem CID:

135084633

Reduced:

Rh2N4O12C24H37 (1)

Stoich.:

A2B4C12D24E37 (1)

Weight, g/mol:

574.248623

ΔHf, kcal/mol:

-417.38

Dipole, Da:

3.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762520

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-5-hydroxy-1-[(5S)-5-methoxycarbonyl-1-[(5S)-5-methoxycarbonyl-1-[(5S)-5-methoxycarbonylpyrrolidin-2-yl]oxypyrrolidin-2-yl]oxypyrrolidin-2-yl]oxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCC([N-]1)ON2[C@@H](CCC2ON3[C@@H](CCC3ON4[C@@H](CCC4O)C(=O)OC)C(=O)OC)C(=O)OC.[Rh].[Rh]

DOS

IR

Vibrations