Geometry & MOs

Info

ID:	300813
PubChem CID:	123055105
Reduced:	BrClFNO4H20C26 (1)
Stoich.:	ABCDE4F20G26 (1)
Weight, g/mol:	519.10452
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	10.77
IP(EA), eV:	-8.99(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3,5-dimethylphenyl)-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(=C(C=C3)F)Cl)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations