Geometry & MOs

Info

ID:	64382
PubChem CID:	29199424
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	447.16215
ΔH_f, kcal/mol:	29.16
Dipole, Da:	4.54
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations