Geometry & MOs

Info

ID:	83196
PubChem CID:	49857269
Reduced:	NSF3H6O6C13 (1)
Stoich.:	ABC3D6E6F13 (1)
Weight, g/mol:	355.104959
ΔH_f, kcal/mol:	-239.27
Dipole, Da:	3.96
IP(EA), eV:	-9.59(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-(1-nitrodibenzothiophen-4-yl)-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC(=C3O2)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations