Geometry & MOs

Info

ID:	2801
PubChem CID:	8582
Reduced:	PN4O8C10H13 (1)
Stoich.:	AB4C8D10E13 (1)
Weight, g/mol:	348.0471
ΔH_f, kcal/mol:	-337.68
Dipole, Da:	12.64
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations