Geometry & MOs

Info

ID:	301091
PubChem CID:	123059825
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	507.144865
ΔH_f, kcal/mol:	-171.72
Dipole, Da:	4.33
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1N2C(/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=CC=C4)OCC

DOS

IR

Vibrations