Geometry & MOs

Info

ID:

328092

PubChem CID:

126692026

Reduced:

N2O2F3C16H16 (2)

Stoich.:

A2B2C3D16E16 (2)

Weight, g/mol:

736.193195

ΔHf, kcal/mol:

-395.78

Dipole, Da:

6.86

IP(EA), eV:

 -8.94(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[4-[[(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C(C)(C)CC=O)OC)N4CCC4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations