Geometry & MOs

Info

ID:

175937

PubChem CID:

75970047

Reduced:

N2O3H16C23 (1)

Stoich.:

A2B3C16D23 (1)

Weight, g/mol:

772.090769

ΔHf, kcal/mol:

12.19

Dipole, Da:

5.38

IP(EA), eV:

 -8.84(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethylpyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations