Geometry & MOs

Info

ID:	181812
PubChem CID:	76797886
Reduced:	FPN2O8C23H30 (1)
Stoich.:	ABC2D8E23F30 (1)
Weight, g/mol:	298.099667
ΔH_f, kcal/mol:	-434.7
Dipole, Da:	4.82
IP(EA), eV:	-9.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-(5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl)purine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)CC2=O)(C)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations