Geometry & MOs

Info

ID:

440364

PubChem CID:

135230323

Reduced:

SF2O3N6C28H28 (1)

Stoich.:

AB2C3D6E28F28 (1)

Weight, g/mol:

606.231471

ΔHf, kcal/mol:

-94.38

Dipole, Da:

4.58

IP(EA), eV:

 -8.03(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[2-(4-fluorophenyl)-4-methyl-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N=S(=O)(C)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CCO[C@H]4C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations