Geometry & MOs

Info

ID:	56886
PubChem CID:	22394709
Reduced:	FSO2N5C12H14 (1)
Stoich.:	ABC2D5E12F14 (1)
Weight, g/mol:	425.181393
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	4.56
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-oxo-5-[(E)-3-oxo-4-[2-(trifluoromethyl)phenyl]but-1-enyl]pyrrolidin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

C/C(=N/N=C(N)N)/C1=CN(C2=C1C=CC(=C2)F)S(=O)(=O)C

DOS

IR

Vibrations