Geometry & MOs

Info

ID:

327486

PubChem CID:

126690074

Reduced:

FOPSN5C24H29 (1)

Stoich.:

ABCDE5F24G29 (1)

Weight, g/mol:

584.251578

ΔHf, kcal/mol:

-11.89

Dipole, Da:

1.84

IP(EA), eV:

 -8.6(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[3-(dimethylamino)propylsulfanyl]-4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(P2)N3CCC(CC3)CO)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations