Geometry & MOs

Info

ID:

328073

PubChem CID:

126691962

Reduced:

F3O3N4H19C24 (1)

Stoich.:

A3B3C4D19E24 (1)

Weight, g/mol:

663.21679

ΔHf, kcal/mol:

-145.75

Dipole, Da:

2.33

IP(EA), eV:

 -8.95(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[6-(azetidin-1-yl)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-cyclopropyloxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(C(=NO1)C)C2=CC(=C3C(=C2)NC(=O)N3)C(C4=NC=C(C=C4)F)(C5=C(C=CC(=C5)F)F)O

DOS

IR

Vibrations