Geometry & MOs

Info

ID:

23

PubChem CID:

1968

Reduced:

P3N7O16C20H30 (1)

Stoich.:

A3B7C16D20E30 (1)

Weight, g/mol:

717.096189

ΔHf, kcal/mol:

-804.31

Dipole, Da:

8.9

IP(EA), eV:

 -7.67(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-amino-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1C=CN(C=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O

DOS

IR

Vibrations