Geometry & MOs

Info

ID:	218039
PubChem CID:	85088779
Reduced:	FN3O8C18H20 (1)
Stoich.:	AB3C8D18E20 (1)
Weight, g/mol:	424.219609
ΔH_f, kcal/mol:	-300.57
Dipole, Da:	7.64
IP(EA), eV:	-10.51(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(1,3-dibutyl-2,6-dioxo-5H-purin-9-ium-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)F)COC(=O)CCC3=CC=CC=C3[N+](=O)[O-])O

DOS

IR

Vibrations