Geometry & MOs

Info

ID:

328131

PubChem CID:

126692180

Reduced:

BrN3O5F6C33H34 (1)

Stoich.:

AB3C5D6E33F34 (1)

Weight, g/mol:

621.189826

ΔHf, kcal/mol:

-450.38

Dipole, Da:

6.45

IP(EA), eV:

 -8.88(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[6-(3,3-difluoroazetidin-1-yl)-2-[[(5R)-4-methyl-2-oxo-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=NC(=C(C(=C2C3=C(C=CC(=C3)CCC(=O)O)OC)C)Br)N4CCC4)C(=C)/C=C(\C=C(/C)\C(F)(F)F)/C(F)(F)F

DOS

IR

Vibrations