Geometry & MOs

Info

ID:

300912

PubChem CID:

123055390

Reduced:

NO6C29H29 (1)

Stoich.:

AB6C29D29 (1)

Weight, g/mol:

489.170686

ΔHf, kcal/mol:

-172.62

Dipole, Da:

8.03

IP(EA), eV:

 -8.69(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(4-chloro-2-methylphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=CC=C4O

DOS

IR

Vibrations