Geometry & MOs

Info

ID:	326930
PubChem CID:	126688710
Reduced:	ClSO4N7C21H24 (1)
Stoich.:	ABC4D7E21F24 (1)
Weight, g/mol:	259.994184
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	7.21
IP(EA), eV:	-8.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3,3-trifluoro-2-methylpropyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NS(=O)(=O)CC5=CC=CC=C5)Cl

DOS

IR

Vibrations