Geometry & MOs

Info

ID:

328008

PubChem CID:

126691719

Reduced:

N3O3F6H23C27 (1)

Stoich.:

A3B3C6D23E27 (1)

Weight, g/mol:

655.266934

ΔHf, kcal/mol:

-340.93

Dipole, Da:

5.92

IP(EA), eV:

 -9.14(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylpyridin-3-yl]-4-methoxyphenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CC(C3)(F)F)C4=CC=CC=C4OC)C5=CC(=CC(=C5)F)C(F)(F)F

DOS

IR

Vibrations