Geometry & MOs

Info

ID:	19386
PubChem CID:	562869
Reduced:	BrNSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	348.97721
ΔH_f, kcal/mol:	-16.37
Dipole, Da:	7.08
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(4-methylphenyl)sulfonylindole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3Br

DOS

IR

Vibrations