Geometry & MOs

Info

ID:

301037

PubChem CID:

123059509

Reduced:

NO6H31C33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

535.199488

ΔHf, kcal/mol:

-127.02

Dipole, Da:

11.33

IP(EA), eV:

 -7.92(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(3E)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-2-naphthalen-1-yl-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC5=CC=CC=C54)/O

DOS

IR

Vibrations