Geometry & MOs

Info

ID:	134179
PubChem CID:	51658407
Reduced:	S2O3N4C20H22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	427.100693
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	3.3
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations