Geometry & MOs

Info

ID:	344689
PubChem CID:	127268277
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	378.104956
ΔH_f, kcal/mol:	-147.67
Dipole, Da:	6.01
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-(4-fluorophenyl)piperazine

Drug info:

PubChemData

Smile

C1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations