Geometry & MOs

Info

ID:

327489

PubChem CID:

126690093

Reduced:

FOS2N7C25H30 (1)

Stoich.:

ABC2D7E25F30 (1)

Weight, g/mol:

587.170407

ΔHf, kcal/mol:

49.52

Dipole, Da:

4.4

IP(EA), eV:

 -8.58(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[5-(3-chloropropylsulfinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(=N2)N3CCC(CC3)CNS(=O)C)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations