Geometry & MOs

Info

ID:	169441
PubChem CID:	75104713
Reduced:	Cl2O3N9C26H31 (1)
Stoich.:	A2B3C9D26E31 (1)
Weight, g/mol:	613.396822
ΔH_f, kcal/mol:	-1.92
Dipole, Da:	7.15
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-aminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)C(CCCCN)N)C4=NON=C4NCCC#N.Cl.Cl

DOS

IR

Vibrations