Geometry & MOs

Info

ID:

300677

PubChem CID:

123050775

Reduced:

NO7C29H29 (1)

Stoich.:

AB7C29D29 (1)

Weight, g/mol:

467.093579

ΔHf, kcal/mol:

-191.99

Dipole, Da:

6.22

IP(EA), eV:

 -7.92(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)O)OCC

DOS

IR

Vibrations