Geometry & MOs

Info

ID:	64399
PubChem CID:	29199506
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	431.191701
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	1.93
IP(EA), eV:	-8.22(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations