Geometry & MOs

Info

ID:	338980
PubChem CID:	127259991
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	348.03948
ΔH_f, kcal/mol:	35.09
Dipole, Da:	7.15
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromooctan-2-yl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N\NC2=CC=CC=C2)/N=NC3=CC=C(C=C3)S(=O)(=O)O

DOS

IR

Vibrations