Geometry & MOs

Info

ID:	300817
PubChem CID:	123055110
Reduced:	BrNO5H22C26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	539.0499
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	7.25
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-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=C3O)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations