Geometry & MOs

Info

ID:

440347

PubChem CID:

135230306

Reduced:

F3O3N7C27H28 (1)

Stoich.:

A3B3C7D27E28 (1)

Weight, g/mol:

538.225243

ΔHf, kcal/mol:

-99.78

Dipole, Da:

5.64

IP(EA), eV:

 -8.74(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations