Geometry & MOs

Info

ID:	300581
PubChem CID:	123043899
Reduced:	NO7H25C29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	493.09283
ΔH_f, kcal/mol:	-199.54
Dipole, Da:	8.08
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3Z)-1-(5-chloro-2-hydroxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations