Geometry & MOs

Info

ID:	64186
PubChem CID:	29198059
Reduced:	BrSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	7.27
IP(EA), eV:	-7.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ylethyl]ethanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=CC=C2Br)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations