Geometry & MOs

Info

ID:

219308

PubChem CID:

85098648

Reduced:

O12C41H70 (1)

Stoich.:

A12B41C70 (1)

Weight, g/mol:

756.358173

ΔHf, kcal/mol:

-656.34

Dipole, Da:

7.19

IP(EA), eV:

 -9.38(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-6-(4,6-dimethyloct-2-enoyloxy)-4,7-dihydroxy-3-(2-methyltetrazol-5-yl)-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCC(CC(=CC(C(C)C1CC(CCCC=C(CCC(CC(CC(CCC(C(C(C(=O)O1)C)O)C)OC(=O)C)OC(=O)C)O)C)O)O)C)OC(=O)C

DOS

IR

Vibrations