Geometry & MOs

Info

ID:	300622
PubChem CID:	123045798
Reduced:	NO2C16H17 (2)
Stoich.:	AB2C16D17 (2)
Weight, g/mol:	509.0638
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	7.33
IP(EA), eV:	-7.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3-fluorophenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCCC4)C5=CC=C(C=C5)CC)/O

DOS

IR

Vibrations