Geometry & MOs

Info

ID:	226301
PubChem CID:	87350387
Reduced:	SO2N4F6H10C18 (1)
Stoich.:	AB2C4D6E10F18 (1)
Weight, g/mol:	553.160675
ΔH_f, kcal/mol:	-261.28
Dipole, Da:	3.24
IP(EA), eV:	-10.17(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]quinolin-6-yl]pyrimidin-4-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C3C(C4=C(C2N3S(=O)(=O)C5=CN=C(C=C5)C(F)(F)F)C=NN4)(F)F)C(=C1)F

DOS

IR

Vibrations