Geometry & MOs

Info

ID:

425867

PubChem CID:

135128381

Reduced:

O2C8H11 (6)

Stoich.:

A2B8C11 (6)

Weight, g/mol:

638.199941

ΔHf, kcal/mol:

-513.78

Dipole, Da:

2.68

IP(EA), eV:

 -8.63(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(4-formyloxybutoxycarbonyloxy)phenyl] 4-[4-(4-methoxybutoxycarbonyloxy)benzoyl]oxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=C(C=C(C=C3)OCC4CCC(CC4)C/C=C\COCCCCCCOC(=O)C=C)O

DOS

IR

Vibrations