Geometry & MOs

Info

ID:	327474
PubChem CID:	126690034
Reduced:	ClFON4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	540.177745
ΔH_f, kcal/mol:	54.02
Dipole, Da:	7.33
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-(1-methylsulfanylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]propanoate

Drug info:

PubChemData

Smile

C1CC2C3C1C23COC4=C(C=C5C(=C4)N=CN=C5NC6=CC(=C(C=C6)F)Cl)N

DOS

IR

Vibrations