Geometry & MOs

Info

ID:	64317
PubChem CID:	29199066
Reduced:	FSO2N4C21H26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	416.168225
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752142
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2S)-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=CC=C(C=C2)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations