Geometry & MOs

Info

ID:	385054
PubChem CID:	134978217
Reduced:	ClPO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	471.001487
ΔH_f, kcal/mol:	-202.83
Dipole, Da:	2.43
IP(EA), eV:	-9.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dioxidophosphinothioyl phosphate

Drug info:

PubChemData

Smile

CC(OP(=O)(OCC1=CC=CC=C1)OC2=CC=CC=C2)Cl

DOS

IR

Vibrations