Geometry & MOs

Info

ID:

327936

PubChem CID:

126691427

Reduced:

NF3O5C22H32 (1)

Stoich.:

AB3C5D22E32 (1)

Weight, g/mol:

583.170589

ΔHf, kcal/mol:

-405.21

Dipole, Da:

6.42

IP(EA), eV:

 -9.97(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-3-[[6-(azetidin-1-yl)-3-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C(=O)[C@H](CCC(F)(F)F)[C@H](C(=C)C2CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations