Geometry & MOs

Info

ID:

381530

PubChem CID:

134972293

Reduced:

N2O3H20C24 (1)

Stoich.:

A2B3C20D24 (1)

Weight, g/mol:

528.15945

ΔHf, kcal/mol:

-7.24

Dipole, Da:

2.27

IP(EA), eV:

 -7.99(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2S)-3-[(2S,5S)-5-(1,2-dihydroxyethyl)-3,4-dihydroxypyrrolidin-1-ium-2-yl]-2-hydroxypropyl]-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4

DOS

IR

Vibrations