Geometry & MOs

Info

ID:	300681
PubChem CID:	123050786
Reduced:	NO7H25C28 (1)
Stoich.:	AB7C25D28 (1)
Weight, g/mol:	473.147452
ΔH_f, kcal/mol:	-201.86
Dipole, Da:	10.85
IP(EA), eV:	-8.77(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)O

DOS

IR

Vibrations