Geometry & MOs

Info

ID:	300634
PubChem CID:	123046598
Reduced:	NO3C15H16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	545.204967
ΔH_f, kcal/mol:	-144.91
Dipole, Da:	7.25
IP(EA), eV:	-7.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-propoxyphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=C(C=CC(=C3)OC)OC)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations