Geometry & MOs

Info

ID:	280545
PubChem CID:	103849830
Reduced:	BrSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	321.043771
ΔH_f, kcal/mol:	-147.1
Dipole, Da:	9.38
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-tert-butylsulfonylethoxy)-2-chloro-1-nitrobenzene

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCOC1=C(C=CC(=C1)Br)C(=O)C

DOS

IR

Vibrations