Geometry & MOs

Info

ID:

327478

PubChem CID:

126690060

Reduced:

FO2S2N6H25C26 (1)

Stoich.:

AB2C2D6E25F26 (1)

Weight, g/mol:

512.18283

ΔHf, kcal/mol:

47.29

Dipole, Da:

6.33

IP(EA), eV:

 -8.83(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-(1-methylsulfanylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)C3=CCN(CC3)SC)/C=C/C(=O)OC)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations