Geometry & MOs

Info

ID:	301009
PubChem CID:	123059317
Reduced:	NO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	527.230788
ΔH_f, kcal/mol:	-180.63
Dipole, Da:	9.8
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[(4E)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations