Geometry & MOs

Info

ID:

179215

PubChem CID:

76452446

Reduced:

N3O5F6C36H37 (1)

Stoich.:

A3B5C6D36E37 (1)

Weight, g/mol:

721.29504

ΔHf, kcal/mol:

-466.39

Dipole, Da:

6.59

IP(EA), eV:

 -8.62(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-[6-(azetidin-1-yl)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)OC)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations