Geometry & MOs

Info

ID:	327399
PubChem CID:	126689791
Reduced:	O5C19H38 (1)
Stoich.:	A5B19C38 (1)
Weight, g/mol:	507.167514
ΔH_f, kcal/mol:	-303.55
Dipole, Da:	3.63
IP(EA), eV:	-10.39(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCCCCC(=O)OC(CO)CO)O

DOS

IR

Vibrations