Geometry & MOs

Info

ID:	339322
PubChem CID:	127261156
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	449.89591
ΔH_f, kcal/mol:	-173.13
Dipole, Da:	4.08
IP(EA), eV:	-9.25(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,6-dibromophenoxy)-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCOC(C)OC1=CC=CC=C1C(=O)OCC

DOS

IR

Vibrations