Geometry & MOs

Info

ID:	300722
PubChem CID:	123051063
Reduced:	FSN2O5H19C28 (1)
Stoich.:	ABC2D5E19F28 (1)
Weight, g/mol:	467.01685
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	2.12
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-bromophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)NC(=O)C5=CC=CS5

DOS

IR

Vibrations