Geometry & MOs

Info

ID:

328106

PubChem CID:

126692083

Reduced:

N5O5F6H27C33 (1)

Stoich.:

A5B5C6D27E33 (1)

Weight, g/mol:

579.270877

ΔHf, kcal/mol:

-386.79

Dipole, Da:

4.49

IP(EA), eV:

 -8.47(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)pyridin-2-yl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C/C(=C\5/C=NC(=CN5)C(=O)OC)/C=CC4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations