Geometry & MOs

Info

ID:

300870

PubChem CID:

123055272

Reduced:

NF3O6H24C28 (1)

Stoich.:

AB3C6D24E28 (1)

Weight, g/mol:

537.0787

ΔHf, kcal/mol:

-312.31

Dipole, Da:

9.91

IP(EA), eV:

 -8.7(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(4-bromophenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations