Geometry & MOs

Info

ID:	56
PubChem CID:	2028
Reduced:	SP3N5C10O12H16 (1)
Stoich.:	AB3C5D10E12F16 (1)
Weight, g/mol:	522.972903
ΔH_f, kcal/mol:	-663.87
Dipole, Da:	7.29
IP(EA), eV:	-9.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N

DOS

IR

Vibrations