Geometry & MOs

Info

ID:

440353

PubChem CID:

135230312

Reduced:

FO4N8C28H31 (1)

Stoich.:

AB4C8D28E31 (1)

Weight, g/mol:

451.233188

ΔHf, kcal/mol:

-45.81

Dipole, Da:

4.11

IP(EA), eV:

 -9.1(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=N1)C2=NN(C(=C2C)NC(=O)N[C@H]3CN(O[C@@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations