Geometry & MOs

Info

ID:

378148

PubChem CID:

134224222

Reduced:

O7C60H64 (1)

Stoich.:

A7B60C64 (1)

Weight, g/mol:

534.263091

ΔHf, kcal/mol:

-172.68

Dipole, Da:

8.51

IP(EA), eV:

 -8.83(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-butan-2-yl-3-[1-(methylamino)ethenyl]-2-(4-methylphenyl)-1-benzofuran-5-yl]-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC2=CC3=C(C4(OC(=O)C5=CC=CC=C45)C6=C(O3)C=C(C=C6)OC(=O)/C=C(/C=C/C=C(/C=C/C7=C(CCCC7(C)C)C)\C)\C)C=C2)/C)/C

DOS

IR

Vibrations