Geometry & MOs

Info

ID:	300617
PubChem CID:	123045378
Reduced:	BrNO4H24C30 (1)
Stoich.:	ABC4D24E30 (1)
Weight, g/mol:	527.05438
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	6.0
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)Br)/O

DOS

IR

Vibrations