Geometry & MOs

Info

ID:

80814

PubChem CID:

49846187

Reduced:

SF2O3N5H19C24 (1)

Stoich.:

AB2C3D5E19F24 (1)

Weight, g/mol:

545.130911

ΔHf, kcal/mol:

-54.93

Dipole, Da:

5.83

IP(EA), eV:

 -9.94(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;4-[(2R,3R)-3-[5-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxybutanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(S1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCC(=O)O

DOS

IR

Vibrations