Geometry & MOs

Info

ID:

436062

PubChem CID:

135193650

Reduced:

O2F3N4C27H29 (1)

Stoich.:

A2B3C4D27E29 (1)

Weight, g/mol:

556.249957

ΔHf, kcal/mol:

-176.71

Dipole, Da:

7.68

IP(EA), eV:

 -8.56(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[4-[2-[2-(dimethylamino)ethylamino]prop-2-enyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN2C=C(C=C2C1)C(=O)NCC3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations