Geometry & MOs

Info

ID:

440465

PubChem CID:

135230442

Reduced:

F2O4N6C25H28 (1)

Stoich.:

A2B4C6D25E28 (1)

Weight, g/mol:

558.250315

ΔHf, kcal/mol:

-131.26

Dipole, Da:

7.58

IP(EA), eV:

 -8.94(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCC(=O)NC)C

DOS

IR

Vibrations