Geometry & MOs

Info

ID:	300772
PubChem CID:	123054768
Reduced:	ClNO5C31H32 (1)
Stoich.:	ABC5D31E32 (1)
Weight, g/mol:	541.246438
ΔH_f, kcal/mol:	-138.22
Dipole, Da:	11.15
IP(EA), eV:	-8.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-pentoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)OC)Cl)C4=CC=C(C=C4)CC)/O

DOS

IR

Vibrations