Geometry & MOs

Info

ID:	2166
PubChem CID:	6083
Reduced:	PN5O7C10H14 (1)
Stoich.:	AB5C7D10E14 (1)
Weight, g/mol:	347.063085
ΔH_f, kcal/mol:	-304.81
Dipole, Da:	2.88
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

DOS

IR

Vibrations