Geometry & MOs

Info

ID:	240914
PubChem CID:	93618178
Reduced:	SN2F3O4C12H13 (1)
Stoich.:	AB2C3D4E12F13 (1)
Weight, g/mol:	331.114376
ΔH_f, kcal/mol:	-291.44
Dipole, Da:	8.15
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-ethyl-5-oxo-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1C(=O)NC2=CN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations