Geometry & MOs

Info

ID:

327491

PubChem CID:

126690095

Reduced:

FOSN7C27H32 (1)

Stoich.:

ABCD7E27F32 (1)

Weight, g/mol:

480.156615

ΔHf, kcal/mol:

89.06

Dipole, Da:

5.57

IP(EA), eV:

 -8.86(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(N2)N3CCC(C3)CO)N(C)C4=NC(=C(S4)C#N)/C/5=C/CC/C=C(/C=C5)/CF

DOS

IR

Vibrations