Geometry & MOs

Info

ID:	322271
PubChem CID:	126669575
Reduced:	SF3O4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	319.012613
ΔH_f, kcal/mol:	-314.01
Dipole, Da:	3.54
IP(EA), eV:	-9.52(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetylisoquinolin-1-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C3CCC2CC3)C(=C1)OS(=O)(=O)C(F)(F)F)O

DOS

IR

Vibrations