Geometry & MOs

Info

ID:

440470

PubChem CID:

135230448

Reduced:

BrF2N2O2H11C14 (1)

Stoich.:

AB2C2D2E11F14 (1)

Weight, g/mol:

645.212293

ΔHf, kcal/mol:

-122.35

Dipole, Da:

5.65

IP(EA), eV:

 -9.63(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(C(=O)NC2=CC=CC(=N2)CBr)(F)F

DOS

IR

Vibrations