Geometry & MOs

Info

ID:	300666
PubChem CID:	123050731
Reduced:	NO6H27C29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	473.147452
ΔH_f, kcal/mol:	-165.88
Dipole, Da:	9.37
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)OC(=O)C

DOS

IR

Vibrations