Geometry & MOs

Info

ID:	230503
PubChem CID:	87571129
Reduced:	ClF2S2N4O6H15C22 (1)
Stoich.:	AB2C2D4E6F15G22 (1)
Weight, g/mol:	181.170474
ΔH_f, kcal/mol:	-196.28
Dipole, Da:	8.94
IP(EA), eV:	-9.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-tert-butyl-3-(2-methylpropyl)imidazol-3-ium

Drug info:

PubChemData

Smile

C1=CN(N=C1)S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC(=C(S3)Cl)CC(=O)O)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations