Geometry & MOs

Info

ID:	300660
PubChem CID:	123050685
Reduced:	NO7H23C28 (1)
Stoich.:	AB7C23D28 (1)
Weight, g/mol:	477.157623
ΔH_f, kcal/mol:	-197.15
Dipole, Da:	10.07
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations