Geometry & MOs

Info

ID:

322095

PubChem CID:

126668582

Reduced:

SO5F8H18C25 (1)

Stoich.:

AB5C8D18E25 (1)

Weight, g/mol:

657.052605

ΔHf, kcal/mol:

-516.79

Dipole, Da:

11.45

IP(EA), eV:

 -9.58(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC1=C(C=CC(=C1)C(F)(F)F)[C@H]2CCOC3=C2C=CC(=C3)S(=O)(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations