Geometry & MOs

Info

ID:	231280
PubChem CID:	87573342
Reduced:	SN3O3F5C21H22 (1)
Stoich.:	AB3C3D5E21F22 (1)
Weight, g/mol:	674.346353
ΔH_f, kcal/mol:	-328.52
Dipole, Da:	3.12
IP(EA), eV:	-9.55(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-tert-butylphenyl)-(4-hydroxyphenyl)sulfanium;2,4,6-tri(propan-2-yl)benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)NC(C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)F

DOS

IR

Vibrations