Geometry & MOs

Info

ID:	268956
PubChem CID:	103603038
Reduced:	SN2O5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	353.00851
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	10.07
IP(EA), eV:	-9.72(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)sulfonylethyl]-2-methylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations