Geometry & MOs

Info

ID:	327498
PubChem CID:	126690140
Reduced:	FSN6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	513.178079
ΔH_f, kcal/mol:	69.97
Dipole, Da:	8.03
IP(EA), eV:	-8.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]-1-methylsulfanylpiperazin-2-yl]methanol

Drug info:

PubChemData

Smile

CCCN(CC)C1=NN2C(=NC(=C2N(C)C3=NC(=CS3)C4=CC=C(C=C4)F)CC)C=C1

DOS

IR

Vibrations