Geometry & MOs

Info

ID:	300618
PubChem CID:	123045388
Reduced:	BrNF2O4H20C26 (1)
Stoich.:	ABC2D4E20F26 (1)
Weight, g/mol:	529.210052
ΔH_f, kcal/mol:	-158.2
Dipole, Da:	9.72
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations