Geometry & MOs

Info

ID:

231143

PubChem CID:

87572754

Reduced:

ClO3N10C27H33 (1)

Stoich.:

AB3C10D27E33 (1)

Weight, g/mol:

580.242563

ΔHf, kcal/mol:

-38.42

Dipole, Da:

9.61

IP(EA), eV:

 -9.21(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)-6-[[4-[[(2R)-pyrrolidine-2-carbonyl]carbamoylamino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)NC(=O)NC2CCC(CC2)NC3=NN4C(=CN=C4C(=C3)NC5CC5)C(=O)NC6=CC(=NC=C6)Cl

DOS

IR

Vibrations