Geometry & MOs

Info

ID:	5106
PubChem CID:	12599
Reduced:	PN5O6C10H14 (1)
Stoich.:	AB5C6D10E14 (1)
Weight, g/mol:	331.06817
ΔH_f, kcal/mol:	-264.47
Dipole, Da:	3.87
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O

DOS

IR

Vibrations