Geometry & MOs

Info

ID:

132500

PubChem CID:

51371158

Reduced:

NaP2N4O13C14H29 (1)

Stoich.:

AB2C4D13E14F29 (1)

Weight, g/mol:

489.115157

ΔHf, kcal/mol:

-748.14

Dipole, Da:

6.87

IP(EA), eV:

 -9.31(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O.O.O.[Na+]

DOS

IR

Vibrations