Geometry & MOs

Info

ID:

328124

PubChem CID:

126692151

Reduced:

N4O5F6H32C33 (1)

Stoich.:

A4B5C6D32E33 (1)

Weight, g/mol:

809.150757

ΔHf, kcal/mol:

-424.55

Dipole, Da:

6.69

IP(EA), eV:

 -8.78(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[4-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1C2=CC(=C(C=C2)OC)C3=CN=C(N=C3CN4[C@H]([C@H](OC4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C)N6CCC6

DOS

IR

Vibrations