Geometry & MOs

Info

ID:

327499

PubChem CID:

126690146

Reduced:

FOS2N7C24H28 (1)

Stoich.:

ABC2D7E24F28 (1)

Weight, g/mol:

513.178079

ΔHf, kcal/mol:

45.66

Dipole, Da:

4.89

IP(EA), eV:

 -8.57(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-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

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

DOS

IR

Vibrations