Geometry & MOs

Info

ID:

179586

PubChem CID:

76505166

Reduced:

F2O7C31H44 (1)

Stoich.:

A2B7C31D44 (1)

Weight, g/mol:

638.349264

ΔHf, kcal/mol:

-423.35

Dipole, Da:

3.22

IP(EA), eV:

 -10.04(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,6-dimethyl-9-[2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCC1OC(C(=O)OCC(=O)C2(O1)CCC3C2(CCC4(C3CC(C5=CC(=O)CCC54C)F)F)C)C(CCC)O

DOS

IR

Vibrations