Geometry & MOs

Info

ID:	64333
PubChem CID:	29199175
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	413.201122
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	2.26
IP(EA), eV:	-8.44(-0.45)
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]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations