Geometry & MOs

Info

ID:

309695

PubChem CID:

126555055

Reduced:

PN2O8C20H35 (1)

Stoich.:

AB2C8D20E35 (1)

Weight, g/mol:

491.958587

ΔHf, kcal/mol:

-405.26

Dipole, Da:

1.77

IP(EA), eV:

 -8.92(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-(5-oxo-2-prop-2-enoyloxy-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-triene-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCOP(=O)(OCCCC)OCC1C(C(C(O1)N/C=C\C=C(/C=C)\C(=O)N)O)O

DOS

IR

Vibrations