Geometry & MOs

Info

ID:

440590

PubChem CID:

135230587

Reduced:

FO4N9C29H30 (1)

Stoich.:

AB4C9D29E30 (1)

Weight, g/mol:

565.224909

ΔHf, kcal/mol:

-46.54

Dipole, Da:

13.85

IP(EA), eV:

 -8.75(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-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(NC(=O)CN3)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations