Geometry & MOs

Info

ID:

298007

PubChem CID:

117645993

Reduced:

Cl2O17C53H76 (1)

Stoich.:

A2B17C53D76 (1)

Weight, g/mol:

1332.56659

ΔHf, kcal/mol:

-779.7

Dipole, Da:

2.85

IP(EA), eV:

 -9.4(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[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]-4,8,8-trimethyl-9-oxononanoic acid

Drug info:

PubChemData

Smile

CCC1/C=C(/C(C/C=C/C=C(/C(=O)OC(C/C=C(/C=C(/C1OC2C(C(C(C(O2)(C)C)O)OC(=O)C(C)C)O)\C)\C)C(C)O)\COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)C)Cl)CC)O)OC)O)\C

DOS

IR

Vibrations