Geometry & MOs

Info

ID:	424271
PubChem CID:	135121994
Reduced:	KNSO5H6C7 (1)
Stoich.:	ABCD5E6F7 (1)
Weight, g/mol:	236.104231
ΔH_f, kcal/mol:	-158.81
Dipole, Da:	12.02
IP(EA), eV:	-9.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C([N+](=O)[O-])S(=O)(=O)[O-].[K+]

DOS

IR

Vibrations