Geometry & MOs

Info

ID:	195417
PubChem CID:	78683634
Reduced:	SN3O3H15C20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	409.093721
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	3.1
IP(EA), eV:	-9.06(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C=CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations