Geometry & MOs

Info

ID:

328147

PubChem CID:

126692267

Reduced:

N2O2F4H14C17 (2)

Stoich.:

A2B2C4D14E17 (2)

Weight, g/mol:

688.193195

ΔHf, kcal/mol:

-472.58

Dipole, Da:

12.23

IP(EA), eV:

 -9.6(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[4-[[(4S)-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]propanoate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=C(C(=C3)C4=C(C=C(C=C4)C(=O)O)C)F)F)N5CCC5)C6CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations