Geometry & MOs

Info

ID:

327500

PubChem CID:

126690147

Reduced:

FOS2N7C24H28 (1)

Stoich.:

ABC2D7E24F28 (1)

Weight, g/mol:

580.256664

ΔHf, kcal/mol:

51.2

Dipole, Da:

7.22

IP(EA), eV:

 -8.56(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[5-[3-(dimethylamino)propylsulfanyl]-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)N3CCN([C@@H](C3)CO)SC)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations