Geometry & MOs

Info

ID:	64192
PubChem CID:	29198102
Reduced:	ClSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	412.205873
ΔH_f, kcal/mol:	-26.65
Dipole, Da:	4.94
IP(EA), eV:	-8.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethyl]-2,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations