Geometry & MOs

Info

ID:

1538

PubChem CID:

4663

Reduced:

P5N7C20O23H30 (1)

Stoich.:

A5B7C20D23E30 (1)

Weight, g/mol:

891.008115

ΔHf, kcal/mol:

-1263.53

Dipole, Da:

8.58

IP(EA), eV:

 -9.53(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O

DOS

IR

Vibrations