Geometry & MOs

Info

ID:	64386
PubChem CID:	29199441
Reduced:	ClSO3N4C22H27 (1)
Stoich.:	ABC3D4E22F27 (1)
Weight, g/mol:	463.157065
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	4.49
IP(EA), eV:	-8.42(-0.71)
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-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=C(C=CC(=C2)Cl)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations