Geometry & MOs

Info

ID:	301021
PubChem CID:	123059431
Reduced:	NO7C31H31 (1)
Stoich.:	AB7C31D31 (1)
Weight, g/mol:	543.225702
ΔH_f, kcal/mol:	-204.48
Dipole, Da:	7.73
IP(EA), eV:	-9.03(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3E)-2-(3-ethoxyphenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)C(=O)OC

DOS

IR

Vibrations