Geometry & MOs

Info

ID:	300850
PubChem CID:	123055203
Reduced:	ClNO6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	521.183838
ΔH_f, kcal/mol:	-171.89
Dipole, Da:	12.24
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3E)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-naphthalen-1-yl-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations