Geometry & MOs

Info

ID:	300812
PubChem CID:	123055102
Reduced:	BrFNO4H21C26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	543.02483
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	9.64
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3-chloro-4-fluorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations