Geometry & MOs

Info

ID:	434317
PubChem CID:	135174681
Reduced:	PO4N7C23H28 (1)
Stoich.:	AB4C7D23E28 (1)
Weight, g/mol:	500.204938
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	3.66
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[(1-methylpyrazol-4-yl)methoxy]ethylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(NCCOCC3=CC=NC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations