Geometry & MOs

Info

ID:

301124

PubChem CID:

123059958

Reduced:

NO5H29C33 (1)

Stoich.:

AB5C29D33 (1)

Weight, g/mol:

531.106035

ΔHf, kcal/mol:

-93.86

Dipole, Da:

6.4

IP(EA), eV:

 -8.54(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(/C(=C(\C4=CC(=CC=C4)OC(C)C)/O)/C(=O)C3=O)C5=CC=CC=C5

DOS

IR

Vibrations