Geometry & MOs

Info

ID:

300801

PubChem CID:

123055050

Reduced:

NCl2O4H25C28 (1)

Stoich.:

AB2C4D25E28 (1)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-108.34

Dipole, Da:

7.51

IP(EA), eV:

 -9.19(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations