Geometry & MOs

Info

ID:

327979

PubChem CID:

126691613

Reduced:

N3F5O5H30C35 (1)

Stoich.:

A3B5C5D30E35 (1)

Weight, g/mol:

699.21679

ΔHf, kcal/mol:

-360.78

Dipole, Da:

8.91

IP(EA), eV:

 -8.99(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[5-(3-acetyl-4-hydroxyphenyl)-2-methoxyphenyl]-6-(azetidin-1-yl)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)N3CC(C3)(F)F)C4=C(C=CC(=C4)C5=C(C=C(C=C5)C(=O)O)C)OC)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations