Geometry & MOs

Info

ID:	339021
PubChem CID:	127260032
Reduced:	NS2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	492.00646
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	3.48
IP(EA), eV:	-7.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-2-(4-butoxyphenyl)sulfanylphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)SC2=C(C=C(C=C2)N)OS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations