Geometry & MOs

Info

ID:	339022
PubChem CID:	127260033
Reduced:	BrS2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	435.94386
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	6.11
IP(EA), eV:	-8.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations