Geometry & MOs

Info

ID:	300816
PubChem CID:	123055109
Reduced:	BrNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	507.06814
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	7.34
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=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