Geometry & MOs

Info

ID:	64377
PubChem CID:	29199391
Reduced:	SO3N5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	470.222586
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	7.83
IP(EA), eV:	-8.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]sulfamoyl]-3-methylphenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations