Geometry & MOs

Info

ID:	300649
PubChem CID:	123050619
Reduced:	NO7H23C28 (1)
Stoich.:	AB7C23D28 (1)
Weight, g/mol:	471.131802
ΔH_f, kcal/mol:	-185.57
Dipole, Da:	4.97
IP(EA), eV:	-8.23(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3E)-1-(1,3-benzodioxol-5-yl)-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=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)OC(=O)C)/O

DOS

IR

Vibrations