Geometry & MOs

Info

ID:

322059

PubChem CID:

126668451

Reduced:

SO6F8H18C26 (1)

Stoich.:

AB6C8D18E26 (1)

Weight, g/mol:

629.090705

ΔHf, kcal/mol:

-548.48

Dipole, Da:

7.66

IP(EA), eV:

 -9.71(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (4S)-4-methyl-4-[2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydrochromene-7-sulfonate

Drug info:

PubChemData

Smile

C1COC[C@H]1OC2=C(C=CC(=C2)C(F)(F)F)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations