Geometry & MOs

Info

ID:	434318
PubChem CID:	135174682
Reduced:	PO4N8C22H29 (1)
Stoich.:	AB4C8D22E29 (1)
Weight, g/mol:	524.230091
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	5.01
IP(EA), eV:	-8.61(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[(2,4-dimethylphenyl)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=CN(N=C3)C)OC4=CC=CC=C4

DOS

IR

Vibrations