Geometry & MOs

Info

ID:	300815
PubChem CID:	123055107
Reduced:	BrNO4H24C27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	519.10452
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	6.37
IP(EA), eV:	-8.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations