Geometry & MOs

Info

ID:

328062

PubChem CID:

126691918

Reduced:

F4N4O5H30C36 (1)

Stoich.:

A4B4C5D30E36 (1)

Weight, g/mol:

651.21679

ΔHf, kcal/mol:

-279.99

Dipole, Da:

9.79

IP(EA), eV:

 -8.99(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=C(C(=C4)C5=C(C=C(C=C5)C(=O)O)C)F)OC)C6=CC(=CC(=C6)C#N)C(F)(F)F

DOS

IR

Vibrations