Geometry & MOs

Info

ID:	226503
PubChem CID:	87457654
Reduced:	SO4F6N6H20C24 (1)
Stoich.:	AB4C6D6E20F24 (1)
Weight, g/mol:	261.028263
ΔH_f, kcal/mol:	-390.98
Dipole, Da:	7.45
IP(EA), eV:	-9.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxy-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC(=NC=C2)NC3=NC=CN=C3)C4=CC=C(C=C4)SC(F)(F)F)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations