Geometry & MOs

Info

ID:

304340

PubChem CID:

124542612

Reduced:

FN3O3H18C25 (1)

Stoich.:

AB3C3D18E25 (1)

Weight, g/mol:

489.115157

ΔHf, kcal/mol:

-39.55

Dipole, Da:

2.6

IP(EA), eV:

 -9.43(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=NN[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations