Geometry & MOs

Info

ID:	300656
PubChem CID:	123050644
Reduced:	NO7H27C30 (1)
Stoich.:	AB7C27D30 (1)
Weight, g/mol:	477.157623
ΔH_f, kcal/mol:	-212.45
Dipole, Da:	8.66
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=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)C

DOS

IR

Vibrations