Geometry & MOs

Info

ID:	16577
PubChem CID:	473140
Reduced:	P3N5C8O11H14 (1)
Stoich.:	A3B5C8D11E14 (1)
Weight, g/mol:	448.990267
ΔH_f, kcal/mol:	-554.77
Dipole, Da:	5.09
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)oxyethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)OCCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N

DOS

IR

Vibrations