Geometry & MOs

Info

ID:	344687
PubChem CID:	127268275
Reduced:	SN2O3C10H20 (1)
Stoich.:	AB2C3D10E20 (1)
Weight, g/mol:	378.104956
ΔH_f, kcal/mol:	-151.58
Dipole, Da:	6.17
IP(EA), eV:	-9.22(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCN(CC1)C(=O)C

DOS

IR

Vibrations