Geometry & MOs

Info

ID:	434015
PubChem CID:	135174168
Reduced:	PO4N5C17H20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	524.230091
ΔH_f, kcal/mol:	-107.65
Dipole, Da:	3.49
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[[(2S)-1-[(2-methylphenyl)methoxy]propan-2-yl]amino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

COP(=O)(CO[C@@H](CN1C=NC2=C(N=CN=C21)N)C=C)OC3=CC=CC=C3

DOS

IR

Vibrations