Geometry & MOs

Info

ID:	61585
PubChem CID:	26710760
Reduced:	BrSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	489.07218
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	9.04
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(1H-indol-3-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCC2=CNC3=CC=CC=C32)Br

DOS

IR

Vibrations