Geometry & MOs

Info

ID:	426995
PubChem CID:	135154950
Reduced:	PN6O7C24H33 (1)
Stoich.:	AB6C7D24E33 (1)
Weight, g/mol:	562.230484
ΔH_f, kcal/mol:	-284.88
Dipole, Da:	2.13
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCC3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations