Geometry & MOs

Info

ID:	445499
PubChem CID:	135267392
Reduced:	ClOF3N3H15C21 (1)
Stoich.:	ABC3D3E15F21 (1)
Weight, g/mol:	371.124111
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	6.63
IP(EA), eV:	-9.2(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl] hypofluorite

Drug info:

PubChemData

Smile

C1CC2=C3C(=NC=C2/C=C\C(=O)N(C1)C4=CC=CC(=C4)C(F)(F)F)C=CC(=N3)Cl

DOS

IR

Vibrations