Geometry & MOs

Info

ID:	11929
PubChem CID:	123771
Reduced:	P2N5O10C12H15 (1)
Stoich.:	A2B5C10D12E15 (1)
Weight, g/mol:	451.029416
ΔH_f, kcal/mol:	-467.35
Dipole, Da:	1.47
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations