Geometry & MOs

Info

ID:	64385
PubChem CID:	29199437
Reduced:	ClSO3N4C22H27 (1)
Stoich.:	ABC3D4E22F27 (1)
Weight, g/mol:	462.14924
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	8.81
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations