Geometry & MOs

Info

ID:

440622

PubChem CID:

135230638

Reduced:

F3O3N6C28H33 (1)

Stoich.:

A3B3C6D28E33 (1)

Weight, g/mol:

580.235808

ΔHf, kcal/mol:

-145.41

Dipole, Da:

3.65

IP(EA), eV:

 -8.68(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-(2-ethoxypyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2CCNCC2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCF

DOS

IR

Vibrations