Geometry & MOs

Info

ID:	1636
PubChem CID:	4798
Reduced:	P2N5O9C11H17 (1)
Stoich.:	A2B5C9D11E17 (1)
Weight, g/mol:	425.050151
ΔH_f, kcal/mol:	-440.93
Dipole, Da:	3.62
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N

DOS

IR

Vibrations