Geometry & MOs

Info

ID:	369818
PubChem CID:	127336154
Reduced:	FSN3O3C15H22 (1)
Stoich.:	ABC3D3E15F22 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	4.57
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(oxan-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations