Geometry & MOs

Info

ID:

300846

PubChem CID:

123055191

Reduced:

NO6C32H33 (1)

Stoich.:

AB6C32D33 (1)

Weight, g/mol:

529.173667

ΔHf, kcal/mol:

-189.28

Dipole, Da:

10.15

IP(EA), eV:

 -8.52(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(3Z)-2-(3-acetyloxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=CC=C4)OC(=O)C

DOS

IR

Vibrations