Geometry & MOs

Info

ID:	300646
PubChem CID:	123050569
Reduced:	BrNO5H22C26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	515.03439
ΔH_f, kcal/mol:	-97.41
Dipole, Da:	7.42
IP(EA), eV:	-8.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations