Geometry & MOs

Info

ID:	338988
PubChem CID:	127259999
Reduced:	BrSO3H15C20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	488.19598
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	2.81
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromooctadecyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OCC2C3=C(C4=CC=CC=C24)C(=CC=C3)Br

DOS

IR

Vibrations