Geometry & MOs

Info

ID:

378150

PubChem CID:

134224224

Reduced:

SN2O2H18C22 (1)

Stoich.:

AB2C2D18E22 (1)

Weight, g/mol:

528.290055

ΔHf, kcal/mol:

37.49

Dipole, Da:

7.58

IP(EA), eV:

 -8.19(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-[2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-3-[1-(methylamino)ethenyl]-6-propyl-1-benzofuran-5-yl]-N-[2-(1,2,4-oxadiazol-3-yl)butan-2-yl]penta-1,3-dien-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CN3C=C(N=C3S2)C4=CC5=CC=CC=C5OC4

DOS

IR

Vibrations