Geometry & MOs

Info

ID:

301209

PubChem CID:

123069181

Reduced:

BrNO5H24C27 (1)

Stoich.:

ABC5D24E27 (1)

Weight, g/mol:

543.225702

ΔHf, kcal/mol:

-109.06

Dipole, Da:

8.52

IP(EA), eV:

 -8.75(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 4-[(3E)-2-(3-ethoxyphenyl)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)Br

DOS

IR

Vibrations