Geometry & MOs

Info

ID:

300781

PubChem CID:

123054990

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-220.06

Dipole, Da:

8.71

IP(EA), eV:

 -9.03(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 4-[(3E)-2-(3-hydroxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations