Geometry & MOs

Info

ID:	338952
PubChem CID:	127259963
Reduced:	NSCl2O3H9C15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	449.85952
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	3.79
IP(EA), eV:	-8.85(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzenesulfonyloxy)-4,6-dibromophenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC(=N3)Cl

DOS

IR

Vibrations