Geometry & MOs

Info

ID:	7337
PubChem CID:	72189
Reduced:	P3N5C10O12H16 (1)
Stoich.:	A3B5C10D12E16 (1)
Weight, g/mol:	491.000832
ΔH_f, kcal/mol:	-650.04
Dipole, Da:	17.24
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations