Geometry & MOs

Info

ID:	64318
PubChem CID:	29199067
Reduced:	FSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	469.263723
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	5.42
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations