Geometry & MOs

Info

ID:	231491
PubChem CID:	87573901
Reduced:	KSF3O3H5C7 (1)
Stoich.:	ABC3D3E5F7 (1)
Weight, g/mol:	525.236749
ΔH_f, kcal/mol:	-324.88
Dipole, Da:	8.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859133
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)-6-[[4-[[ethyl(methyl)carbamoyl]amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)O.[K]

DOS

IR

Vibrations