Geometry & MOs

Info

ID:	300954
PubChem CID:	123058737
Reduced:	NF3O3H22C27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	445.144471
ΔH_f, kcal/mol:	-196.53
Dipole, Da:	5.14
IP(EA), eV:	-9.2(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(5-chloro-2-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations