Geometry & MOs

Info

ID:

327991

PubChem CID:

126691645

Reduced:

PF2N3O5C29H33 (1)

Stoich.:

AB2C3D5E29F33 (1)

Weight, g/mol:

677.23244

ΔHf, kcal/mol:

-273.77

Dipole, Da:

4.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.845155

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]-4-methylpyridin-3-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCC(=O)O)O)C5C[P+](C=C(C=C5)F)(C)F

DOS

IR

Vibrations