Geometry & MOs

Info

ID:	11850
PubChem CID:	121990
Reduced:	SP2N5O10C11H17 (1)
Stoich.:	AB2C5D10E11F17 (1)
Weight, g/mol:	473.017137
ΔH_f, kcal/mol:	-502.47
Dipole, Da:	3.15
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N

DOS

IR

Vibrations