Geometry & MOs

Info

ID:

49832

PubChem CID:

11533932

Reduced:

F2O2N3C12H13 (2)

Stoich.:

A2B2C3D12E13 (2)

Weight, g/mol:

424.202302

ΔHf, kcal/mol:

-284.88

Dipole, Da:

4.45

IP(EA), eV:

 -9.6(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-imidazo[1,2-b]pyridazin-6-ylphenyl)-N,N-dimethyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@@H](C1=CC=C(C=C1)C2=NN3C=CN=C3C=C2)[C@@H](C(=O)N4CC[C@@H](C4)F)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations