Geometry & MOs

Info

ID:	64302
PubChem CID:	29198983
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	459.206602
ΔH_f, kcal/mol:	-41.95
Dipole, Da:	2.21
IP(EA), eV:	-8.4(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,5-dimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNS(=O)(=O)C)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations