Geometry & MOs

Info

ID:

328022

PubChem CID:

126691770

Reduced:

FN4O5C29H31 (1)

Stoich.:

AB4C5D29E31 (1)

Weight, g/mol:

731.223018

ΔHf, kcal/mol:

-155.5

Dipole, Da:

6.74

IP(EA), eV:

 -8.77(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylpyridin-3-yl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)CC(CO)C=O)OC)N4CCC4)C5=CC(=CC=C5)F

DOS

IR

Vibrations