Geometry & MOs

Info

ID:	327401
PubChem CID:	126689799
Reduced:	O5C21H42 (1)
Stoich.:	A5B21C42 (1)
Weight, g/mol:	527.193729
ΔH_f, kcal/mol:	-313.47
Dipole, Da:	2.76
IP(EA), eV:	-10.38(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-6-[(3S)-3-(methoxymethyl)-4-methylsulfanylpiperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCCCCCC(=O)OC(CO)CO)O

DOS

IR

Vibrations