Geometry & MOs

Info

ID:

426994

PubChem CID:

135154924

Reduced:

PN6O7C27H39 (1)

Stoich.:

AB6C7D27E39 (1)

Weight, g/mol:

548.214834

ΔHf, kcal/mol:

-310.67

Dipole, Da:

5.12

IP(EA), eV:

 -8.67(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[(2-methyl-1-oxo-1-propoxypropan-2-yl)amino]phosphoryl]oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(NC(C)COC(=O)C(C)C)OCC3=CC(=CC=C3)C(=O)OC(C)C

DOS

IR

Vibrations