Geometry & MOs

Info

ID:

298008

PubChem CID:

117645994

Reduced:

F11O19C61H87 (1)

Stoich.:

A11B19C61D87 (1)

Weight, g/mol:

1290.51964

ΔHf, kcal/mol:

-1550.41

Dipole, Da:

7.26

IP(EA), eV:

 -10.6(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-4-[[3-[4-[1-[3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]-5-[1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]cyclohexyl]oxy-2-methyl-1-oxobutan-2-yl]-2,5-dioxooxolan-3-yl]-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]methyl]-6,6-dimethyl-7-oxoheptanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C1C(C(=O)OC1=O)C2C3CC(C2CC(C)(CCCC(C)(C)C(=O)OCC(=O)OCC(C)(F)F)CCC(=O)O)C(C3)C(=O)OC(C)(C)C)C(=O)OC4CC(CC(C4)C(C(F)(F)F)(C(F)(F)F)OC(=O)OC(C)(C)C)C(C)(C(F)(F)F)OC(=O)OC(C)(C)C

DOS

IR

Vibrations