Geometry & MOs

Info

ID:

328001

PubChem CID:

126691672

Reduced:

N2F3O3C16H17 (2)

Stoich.:

A2B3C3D16E17 (2)

Weight, g/mol:

565.180011

ΔHf, kcal/mol:

-485.7

Dipole, Da:

8.55

IP(EA), eV:

 -8.76(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)CCC(=O)OC)OC)N4CC(C4)OC)C5CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations