Geometry & MOs

Info

ID:	201657
PubChem CID:	79566615
Reduced:	SO2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	363.01399
ΔH_f, kcal/mol:	-102.83
Dipole, Da:	1.88
IP(EA), eV:	-8.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(2,2-dimethylpropylsulfamoyl)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CCOCC(=O)CSC1CCCC1

DOS

IR

Vibrations