Geometry & MOs

Info

ID:

440521

PubChem CID:

135230507

Reduced:

F2O3N7C31H35 (1)

Stoich.:

A2B3C7D31E35 (1)

Weight, g/mol:

546.240224

ΔHf, kcal/mol:

-56.92

Dipole, Da:

4.97

IP(EA), eV:

 -8.88(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations