Geometry & MOs

Info

ID:	300647
PubChem CID:	123050584
Reduced:	BrNF3O3H17C25 (1)
Stoich.:	ABC3D3E17F25 (1)
Weight, g/mol:	469.188923
ΔH_f, kcal/mol:	-185.46
Dipole, Da:	7.77
IP(EA), eV:	-9.2(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations