Geometry & MOs

Info

ID:	231325
PubChem CID:	87573478
Reduced:	ON2F3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	552.221166
ΔH_f, kcal/mol:	-146.35
Dipole, Da:	7.47
IP(EA), eV:	-10.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[tert-butyl(phenyl)phosphoryl]methyl]-3-(2,4,6-trimethylphenyl)imidazol-1-ium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C#N)NC(=O)C(F)(F)F

DOS

IR

Vibrations