Geometry & MOs

Info

ID:	300819
PubChem CID:	123055116
Reduced:	BrNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	505.08887
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	6.87
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)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