Geometry & MOs

Info

ID:	338983
PubChem CID:	127259994
Reduced:	BrSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	429.98744
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	2.9
IP(EA), eV:	-9.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxo-1-phenylethyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(COS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations