Geometry & MOs

Info

ID:

378146

PubChem CID:

134224220

Reduced:

O5H26C27 (1)

Stoich.:

A5B26C27 (1)

Weight, g/mol:

556.248584

ΔHf, kcal/mol:

-140.89

Dipole, Da:

11.63

IP(EA), eV:

 -8.78(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-butan-2-yl-2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]cyclohexa-2,4-dien-1-yl]-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)OC)C

DOS

IR

Vibrations