Geometry & MOs

Info

ID:	17329
PubChem CID:	493061
Reduced:	PN4O5C8H15 (1)
Stoich.:	AB4C5D8E15 (1)
Weight, g/mol:	278.078007
ΔH_f, kcal/mol:	-240.71
Dipole, Da:	1.83
IP(EA), eV:	-9.17(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-diaminopyrimidin-4-yl)oxypropan-2-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

C[C@@H](COC1=NC(=NC(=C1)N)N)OCP(=O)(O)O

DOS

IR

Vibrations