Geometry & MOs

Info

ID:

579

PubChem CID:

3028

Reduced:

PN5O9C17H24 (1)

Stoich.:

AB5C9D17E24 (1)

Weight, g/mol:

473.131164

ΔHf, kcal/mol:

-418.52

Dipole, Da:

3.31

IP(EA), eV:

 -10.1(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-(butanoylamino)-6-oxo-4,5-dihydro-1H-purin-9-yl]-2-hydroxy-2-oxo-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-6-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NC2C(C(=O)N1)N=CN2C3C(C4C(O3)OP(=O)(O4)O)OC(=O)CCC

DOS

IR

Vibrations