Geometry & MOs

Info

ID:	240954
PubChem CID:	93618402
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	324.094392
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	3.48
IP(EA), eV:	-9.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C[C@H]2CCC=C2

DOS

IR

Vibrations