Geometry & MOs

Info

ID:	301006
PubChem CID:	123059300
Reduced:	NO6C30H31 (1)
Stoich.:	AB6C30D31 (1)
Weight, g/mol:	493.145614
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	8.18
IP(EA), eV:	-7.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-4-fluorophenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations