Geometry & MOs

Info

ID:

300799

PubChem CID:

123055046

Reduced:

NO5H33C35 (1)

Stoich.:

AB5C33D35 (1)

Weight, g/mol:

513.251523

ΔHf, kcal/mol:

-100.01

Dipole, Da:

7.31

IP(EA), eV:

 -8.26(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[4-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

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=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations