Geometry & MOs

Info

ID:	396145
PubChem CID:	135027536
Reduced:	NOPdH13C18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	459.14091
ΔH_f, kcal/mol:	126.58
Dipole, Da:	2.63
IP(EA), eV:	-7.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-bromo-2-tert-butylphenyl)-3-[(2S)-2-(3-oxocyclohexen-1-yl)butan-2-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C-]=O.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Pd+2]

DOS

IR

Vibrations