Geometry & MOs

Info

ID:

300893

PubChem CID:

123055327

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

513.251523

ΔHf, kcal/mol:

-174.96

Dipole, Da:

10.8

IP(EA), eV:

 -8.24(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C2/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations