Geometry & MOs

Info

ID:

128625

PubChem CID:

51052424

Reduced:

BrN2O3H25C34 (1)

Stoich.:

AB2C3D25E34 (1)

Weight, g/mol:

559.268236

ΔHf, kcal/mol:

20.51

Dipole, Da:

6.97

IP(EA), eV:

 -8.48(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C[C@@H]2[C@@]3([C@@H]([C@H](N2C4=CC=CC=C14)C(=O)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)Br)C7=CC=CC=C7NC3=O

DOS

IR

Vibrations