Geometry & MOs

Info

ID:	64307
PubChem CID:	29199030
Reduced:	SF2O2N4C21H25 (1)
Stoich.:	AB2C2D4E21F25 (1)
Weight, g/mol:	432.138675
ΔH_f, kcal/mol:	-75.08
Dipole, Da:	1.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752156
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=C(C=CC(=C2)F)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations