Geometry & MOs

Info

ID:	64313
PubChem CID:	29199053
Reduced:	ClSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	476.08816
ΔH_f, kcal/mol:	-7.84
Dipole, Da:	5.42
IP(EA), eV:	-8.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations