Geometry & MOs

Info

ID:

328034

PubChem CID:

126691810

Reduced:

N2F3O3H14C15 (2)

Stoich.:

A2B3C3D14E15 (2)

Weight, g/mol:

698.209452

ΔHf, kcal/mol:

-484.2

Dipole, Da:

5.21

IP(EA), eV:

 -9.29(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-5-[4-chloro-3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-2-propylpentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)CCC(=O)O)O)N4CC(C4)OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations