Geometry & MOs

Info

ID:	300650
PubChem CID:	123050620
Reduced:	NO7H21C27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	499.163102
ΔH_f, kcal/mol:	-176.31
Dipole, Da:	6.49
IP(EA), eV:	-8.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC(=O)C)/O

DOS

IR

Vibrations