Geometry & MOs

Info

ID:	64298
PubChem CID:	29198971
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	456.206936
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	3.87
IP(EA), eV:	-8.22(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC[C@@H](C1=CNC2=CC=CC=C21)N3CCN(CC3)C

DOS

IR

Vibrations