Geometry & MOs

Info

ID:	384899
PubChem CID:	134977898
Reduced:	P2N3C9O11H13 (1)
Stoich.:	A2B3C9D11E13 (1)
Weight, g/mol:	533.011397
ΔH_f, kcal/mol:	-467.5
Dipole, Da:	5.74
IP(EA), eV:	-9.94(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S)-4-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)([O-])[O-])O)O

DOS

IR

Vibrations