Geometry & MOs

Info

ID:	344927
PubChem CID:	127268687
Reduced:	ClS2N3O4C14H20 (1)
Stoich.:	AB2C3D4E14F20 (1)
Weight, g/mol:	395.070655
ΔH_f, kcal/mol:	-143.14
Dipole, Da:	6.91
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations