Geometry & MOs

Info

ID:	56658
PubChem CID:	17505071
Reduced:	SO2F3N3H16C18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	416.086449
ΔH_f, kcal/mol:	-143.21
Dipole, Da:	6.04
IP(EA), eV:	-9.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CN3C=CC=N3

DOS

IR

Vibrations