Geometry & MOs

Info

ID:

425606

PubChem CID:

135126935

Reduced:

O71C120H200 (1)

Stoich.:

A71B120C200 (1)

Weight, g/mol:

672.293448

ΔHf, kcal/mol:

-3368.74

Dipole, Da:

8.95

IP(EA), eV:

 -10.03(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-but-3-enoyloxyhexoxy)benzoate

Drug info:

PubChemData

Smile

CCOCC(COCCOCCOC(=O)C(C)(COC(=O)C(C)(CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)COC(=O)C(C)(CO)CO)(COCCOC(=O)C(C)(COC(=O)C(C)(CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)COC(=O)C(C)(CO)CO)COCCOC(=O)C(C)(COC(=O)C(C)(CO)COC(=O)C(C)(CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO

DOS

IR

Vibrations