Geometry & MOs

Info

ID:	64353
PubChem CID:	29199253
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	435.166629
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	12.16
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations