Geometry & MOs

Info

ID:

301106

PubChem CID:

123059874

Reduced:

ClN2O5C30H31 (1)

Stoich.:

AB2C5D30E31 (1)

Weight, g/mol:

505.165601

ΔHf, kcal/mol:

-141.5

Dipole, Da:

7.11

IP(EA), eV:

 -7.84(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-chloro-4-hydroxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations