Geometry & MOs

Info

ID:	141309
PubChem CID:	52858158
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	403.1604
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	3.9
IP(EA), eV:	-8.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-cyano-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3

DOS

IR

Vibrations