Geometry & MOs

Info

ID:	230983
PubChem CID:	87572376
Reduced:	BrSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	537.236749
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	10.21
IP(EA), eV:	-8.43(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCNC(=S)N.Br

DOS

IR

Vibrations