Geometry & MOs

Info

ID:	249228
PubChem CID:	103087912
Reduced:	NOSC17H21 (1)
Stoich.:	ABCD17E21 (1)
Weight, g/mol:	326.005882
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	4.62
IP(EA), eV:	-8.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methylpiperazine

Drug info:

PubChemData

Smile

CSCCCCNC1=CC(=CC=C1)OC2=CC=CC=C2

DOS

IR

Vibrations