Geometry & MOs

Info

ID:	201674
PubChem CID:	79568005
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	363.01399
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	2.34
IP(EA), eV:	-9.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-5-(3-methylbutylsulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

CCCOCC(C1=CC=CC(=N1)C)O

DOS

IR

Vibrations