Geometry & MOs

Info

ID:

327487

PubChem CID:

126690078

Reduced:

FOS2N8C28H37 (1)

Stoich.:

ABC2D8E28F37 (1)

Weight, g/mol:

562.263857

ΔHf, kcal/mol:

39.48

Dipole, Da:

5.73

IP(EA), eV:

 -8.44(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[2-ethyl-3-[[4-(5-fluorocyclohepta-1,4,6-trien-1-yl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations