Geometry & MOs

Info

ID:	327192
PubChem CID:	126689184
Reduced:	F2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	315.945183
ΔH_f, kcal/mol:	-152.21
Dipole, Da:	9.95
IP(EA), eV:	-9.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)NC(=O)O)C2=CC3=C(C=CN3CC4CCC(CC4)(F)F)N=C2

DOS

IR

Vibrations