Geometry & MOs

Info

ID:

440607

PubChem CID:

135230621

Reduced:

FO4N8C33H37 (1)

Stoich.:

AB4C8D33E37 (1)

Weight, g/mol:

594.240224

ΔHf, kcal/mol:

-48.85

Dipole, Da:

8.04

IP(EA), eV:

 -9.34(-0.94)

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-[5-[5-(hydroxymethyl)-6-methoxypyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C3[C@@H]4CCC3COC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations