Geometry & MOs

Info

ID:	64361
PubChem CID:	29199314
Reduced:	SO2N4C25H29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	431.191701
ΔH_f, kcal/mol:	36.12
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870327
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations