Geometry & MOs

Info

ID:

15825

PubChem CID:

452851

Reduced:

P2O14N15C30H37 (1)

Stoich.:

A2B14C15D30E37 (1)

Weight, g/mol:

893.211965

ΔHf, kcal/mol:

-537.66

Dipole, Da:

3.6

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1C(OC(C1OP(=O)(O)OCC2CC(C(O2)N3C=NC4=C(N=CN=C43)N)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O)N8C=NC9=C(N=CN=C98)N)CO

DOS

IR

Vibrations