Geometry & MOs

Info

ID:	133435
PubChem CID:	51525951
Reduced:	SO2N5H10C15 (1)
Stoich.:	AB2C5D10E15 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	152.89
Dipole, Da:	8.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.285733
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(3,4-difluorophenyl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=NON=C43)[S-]

DOS

IR

Vibrations