Geometry & MOs

Info

ID:

440352

PubChem CID:

135230311

Reduced:

FO2N4C15H15 (2)

Stoich.:

AB2C4D15E15 (2)

Weight, g/mol:

562.24523

ΔHf, kcal/mol:

-96.51

Dipole, Da:

4.94

IP(EA), eV:

 -8.84(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(C(=O)N3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations