Geometry & MOs

Info

ID:	301221
PubChem CID:	123069322
Reduced:	NO5H27C31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	535.199488
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	5.4
IP(EA), eV:	-8.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[(3E)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-2-naphthalen-1-yl-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations