Geometry & MOs

Info

ID:

328018

PubChem CID:

126691760

Reduced:

N3O4F6C33H33 (1)

Stoich.:

A3B4C6D33E33 (1)

Weight, g/mol:

673.182296

ΔHf, kcal/mol:

-391.63

Dipole, Da:

4.37

IP(EA), eV:

 -8.44(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-(3,3-difluoroazetidin-1-yl)-4-methylpyridin-3-yl]-4-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCCO)OC5CC5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations