Geometry & MOs

Info

ID:	405069
PubChem CID:	135072390
Reduced:	BrNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	294.142725
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	6.44
IP(EA), eV:	-10.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(=O)(=O)CC#CCCCBr

DOS

IR

Vibrations