Geometry & MOs

Info

ID:

327910

PubChem CID:

126691298

Reduced:

F3O4C16H25 (1)

Stoich.:

A3B4C16D25 (1)

Weight, g/mol:

686.177545

ΔHf, kcal/mol:

-380.28

Dipole, Da:

5.97

IP(EA), eV:

 -10.44(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S)-2-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CCC=C)[C@@H](CCCC(F)(F)F)C(=O)O

DOS

IR

Vibrations