Geometry & MOs

Info

ID:	327402
PubChem CID:	126689801
Reduced:	FOS2N7C25H30 (1)
Stoich.:	ABC2D7E25F30 (1)
Weight, g/mol:	489.02704
ΔH_f, kcal/mol:	52.9
Dipole, Da:	2.57
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-bromo-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-2-yl]-1-methoxyprop-2-en-1-ol

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(=N2)N3CCN([C@@H](C3)COC)SC)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations