Geometry & MOs

Info

ID:	64316
PubChem CID:	29199065
Reduced:	SN4O6H20C21 (1)
Stoich.:	AB4C6D20E21 (1)
Weight, g/mol:	417.17605
ΔH_f, kcal/mol:	-97.72
Dipole, Da:	6.32
IP(EA), eV:	-8.81(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

DOS

IR

Vibrations