Geometry & MOs

Info

ID:	240912
PubChem CID:	93618162
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	338.054813
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	6.24
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1,1-dioxo-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

COCCN1C(=O)C=CC(=N1)C(=O)N2CCC[C@H]2C3=CSC=C3

DOS

IR

Vibrations