Geometry & MOs

Info

ID:

228550

PubChem CID:

87565265

Reduced:

NaC7H9O9 (1)

Stoich.:

AB7C9D9 (1)

Weight, g/mol:

609.231213

ΔHf, kcal/mol:

-453.03

Dipole, Da:

4.54

IP(EA), eV:

 -10.44(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(10-amino-2-methyl-3,5,7,8,10-pentazatricyclo[7.2.1.01,6]dodeca-3,5,9(12)-trien-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-(N-methoxyanilino)-3-methylbutanoate

Drug info:

PubChemData

Smile

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(=O)[O-].[Na+]

DOS

IR

Vibrations