Geometry & MOs

Info

ID:

328040

PubChem CID:

126691819

Reduced:

N3O4F6H29C31 (1)

Stoich.:

A3B4C6D29E31 (1)

Weight, g/mol:

579.195661

ΔHf, kcal/mol:

-401.06

Dipole, Da:

1.84

IP(EA), eV:

 -8.74(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)CC=O)OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations