Geometry & MOs

Info

ID:

436069

PubChem CID:

135193680

Reduced:

ClO2F3N5C29H29 (1)

Stoich.:

AB2C3D5E29F29 (1)

Weight, g/mol:

508.298431

ΔHf, kcal/mol:

-168.75

Dipole, Da:

4.68

IP(EA), eV:

 -8.46(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-[1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1C)N=CC(=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations