Geometry & MOs

Info

ID:	231142
PubChem CID:	87572751
Reduced:	NPSC27H56 (1)
Stoich.:	ABCD27E56 (1)
Weight, g/mol:	580.242563
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	36.58
IP(EA), eV:	-5.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)[PH3+].C(#N)[S-]

DOS

IR

Vibrations