Geometry & MOs

Info

ID:

440371

PubChem CID:

135230330

Reduced:

F2O2N10H28C31 (1)

Stoich.:

A2B2C10D28E31 (1)

Weight, g/mol:

548.22958

ΔHf, kcal/mol:

63.43

Dipole, Da:

2.75

IP(EA), eV:

 -9.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CC7=CNN=C7

DOS

IR

Vibrations