Geometry & MOs

Info

ID:

328129

PubChem CID:

126692178

Reduced:

N3F6C33H37 (1)

Stoich.:

A3B6C33D37 (1)

Weight, g/mol:

729.1273

ΔHf, kcal/mol:

-225.86

Dipole, Da:

4.26

IP(EA), eV:

 -8.06(-1.23)

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]-5-bromo-4-methylpyridin-3-yl]-4-methoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(CCCN1C/C=N/C(=C\C=C\C2=C(C=CC(=C2)C3CC3)C)/N4CCC4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations