Geometry & MOs

Info

ID:	1633
PubChem CID:	4795
Reduced:	P3N6C10O12H17 (1)
Stoich.:	A3B6C10D12E17 (1)
Weight, g/mol:	506.011731
ΔH_f, kcal/mol:	-640.09
Dipole, Da:	3.11
IP(EA), eV:	-9.17(-0.66)
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]oxy-hydroxyphosphoryl]amino]phosphonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations