Geometry & MOs

Info

ID:

327394

PubChem CID:

126689783

Reduced:

FI2O2N6C29H33 (1)

Stoich.:

AB2C2D6E29F33 (1)

Weight, g/mol:

541.172994

ΔHf, kcal/mol:

-1.99

Dipole, Da:

2.72

IP(EA), eV:

 -8.89(-1.55)

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-methylsulfinylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C(=N)C=C2)/C(=C(/CI)\I)/N(C)C3=CC=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations