Geometry & MOs

Info

ID:

440565

PubChem CID:

135230562

Reduced:

FO3N4C17H19 (2)

Stoich.:

AB3C4D17E19 (2)

Weight, g/mol:

547.234331

ΔHf, kcal/mol:

-192.36

Dipole, Da:

2.2

IP(EA), eV:

 -9.15(-0.95)

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-(6-methoxypyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)NC3CCOCC3)C4=CC=C(C=C4)F)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations