Geometry & MOs

Info

ID:	339023
PubChem CID:	127260034
Reduced:	BrS2O4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	477.99081
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	5.34
IP(EA), eV:	-8.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)Br)SC3=CC=C(C=C3)O

DOS

IR

Vibrations