Geometry & MOs

Info

ID:	338981
PubChem CID:	127259992
Reduced:	BrSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	348.03948
ΔH_f, kcal/mol:	-137.44
Dipole, Da:	3.7
IP(EA), eV:	-10.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-ethylhexyl) benzenesulfonate

Drug info:

PubChemData

Smile

CCCC(CCC(C)OS(=O)(=O)C1=CC=CC=C1)Br

DOS

IR

Vibrations