Geometry & MOs

Info

ID:

440390

PubChem CID:

135230349

Reduced:

F2O3N7C25H31 (1)

Stoich.:

A2B3C7D25E31 (1)

Weight, g/mol:

551.209259

ΔHf, kcal/mol:

-90.1

Dipole, Da:

8.8

IP(EA), eV:

 -8.79(-0.1)

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-fluoropyridin-4-yl)oxy-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3CCC3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations