Geometry & MOs

Info

ID:

231119

PubChem CID:

87572695

Reduced:

SO3H20C22 (1)

Stoich.:

AB3C20D22 (1)

Weight, g/mol:

495.250649

ΔHf, kcal/mol:

-10.4

Dipole, Da:

19.88

IP(EA), eV:

 -7.38(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-[[(2S)-2-amino-1-oxopropan-2-yl]amino]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)[O-].C1=CC=C2C(=C1)C3=CC=CC=C3[S+]2C4=CC=C(C=C4)CCO

DOS

IR

Vibrations