Geometry & MOs

Info

ID:	16695
PubChem CID:	475155
Reduced:	PO4N5C12H18 (1)
Stoich.:	AB4C5D12E18 (1)
Weight, g/mol:	327.109641
ΔH_f, kcal/mol:	-153.86
Dipole, Da:	3.41
IP(EA), eV:	-8.97(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[6-(prop-2-enylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

C[C@@H](CN1C=NC2=C(N=CN=C21)NCC=C)OCP(=O)(O)O

DOS

IR

Vibrations