Geometry & MOs

Info

ID:	403080
PubChem CID:	135058646
Reduced:	NSO3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	298.104625
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	5.78
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=CC(=C3)C)N(C2=O)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations