Geometry & MOs

Info

ID:

322096

PubChem CID:

126668588

Reduced:

NS2O6F8H19C26 (1)

Stoich.:

AB2C6D8E19F26 (1)

Weight, g/mol:

673.083905

ΔHf, kcal/mol:

-544.37

Dipole, Da:

4.92

IP(EA), eV:

 -9.85(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (4S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-chromene-7-sulfonate

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)N4CCS(=O)(=O)CC4)C=CC(=C2)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations