Geometry & MOs

Info

ID:	15636
PubChem CID:	446493
Reduced:	PN4O8C10H13 (1)
Stoich.:	AB4C8D10E13 (1)
Weight, g/mol:	348.0471
ΔH_f, kcal/mol:	-345.61
Dipole, Da:	7.99
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-oxo-3H-purin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=O)NC2=C1N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations