Geometry & MOs

Info

ID:	339323
PubChem CID:	127261157
Reduced:	SBr2O4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	278.037958
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	3.79
IP(EA), eV:	-9.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-chloroethoxy)-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOS(=O)(=O)C1=C(C=C(C=C1)C)OC2=C(C=CC=C2Br)Br

DOS

IR

Vibrations