Geometry & MOs

Info

ID:

327501

PubChem CID:

126690151

Reduced:

FS2N8C29H37 (1)

Stoich.:

AB2C8D29E37 (1)

Weight, g/mol:

619.144728

ΔHf, kcal/mol:

88.82

Dipole, Da:

6.38

IP(EA), eV:

 -8.59(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]-6-(1-methylsulfinylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(=N2)N3CC4CN(CC4C3)SCCCN(C)C)N(C)C5=NC(=CS5)C6=CC=C(C=C6)F

DOS

IR

Vibrations