Geometry & MOs

Info

ID:	433866
PubChem CID:	135174009
Reduced:	PO4N6C25H31 (1)
Stoich.:	AB4C6D25E31 (1)
Weight, g/mol:	530.159818
ΔH_f, kcal/mol:	-111.85
Dipole, Da:	1.53
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[(3-chlorophenyl)methoxy]ethylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(NCCCOCC3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations