Geometry & MOs

Info

ID:

189

PubChem CID:

2263

Reduced:

O16C35H44 (1)

Stoich.:

A16B35C44 (1)

Weight, g/mol:

720.262935

ΔHf, kcal/mol:

-613.61

Dipole, Da:

4.23

IP(EA), eV:

 -9.64(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 12-acetyloxy-4,7-dihydroxy-6-(2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl)-6-methyl-14-(2-methylbut-2-enoyloxy)-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C

DOS

IR

Vibrations