Geometry & MOs

Info

ID:	271895
PubChem CID:	103697092
Reduced:	ClFNOC10H13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	363.98925
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	4.58
IP(EA), eV:	-8.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromo-3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COCCCNC1=C(C=CC(=C1)F)Cl

DOS

IR

Vibrations