Geometry & MOs

Info

ID:	64341
PubChem CID:	29199199
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	443.211687
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	8.77
IP(EA), eV:	-8.26(-0.31)
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-methoxy-5-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C)C

DOS

IR

Vibrations