Geometry & MOs

Info

ID:	300654
PubChem CID:	123050642
Reduced:	ClNO5H22C27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	-129.99
Dipole, Da:	6.5
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3E)-1-(4-ethoxyphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=CC(=C3)Cl)C)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations