Geometry & MOs

Info

ID:	1638
PubChem CID:	4800
Reduced:	P3N5C11O13H18 (1)
Stoich.:	A3B5C11D13E18 (1)
Weight, g/mol:	521.011397
ΔH_f, kcal/mol:	-665.36
Dipole, Da:	12.44
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)NC(=NC2=O)N

DOS

IR

Vibrations