Geometry & MOs

Info

ID:	157123
PubChem CID:	56422162
Reduced:	SN2F3O3C16H19 (1)
Stoich.:	AB2C3D3E16F19 (1)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	-263.86
Dipole, Da:	5.56
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations