Geometry & MOs

Info

ID:	300802
PubChem CID:	123055052
Reduced:	NO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	513.215138
ΔH_f, kcal/mol:	-189.28
Dipole, Da:	4.63
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)CC(=O)OCC

DOS

IR

Vibrations