Geometry & MOs

Info

ID:

379112

PubChem CID:

134352420

Reduced:

O5C12H14 (4)

Stoich.:

A5B12C14 (4)

Weight, g/mol:

636.220677

ΔHf, kcal/mol:

-817.24

Dipole, Da:

5.14

IP(EA), eV:

 -9.49(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[3-(2-ethoxyethoxycarbonyl)-4-prop-2-enoyloxyphenyl] 1-O-(3-propanoyl-4-prop-2-enoyloxyphenyl) cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C=CC(=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OC(=O)CCC(=O)OCCOC(=O)C=C)C(=O)OCCCC)OC(=O)CCC(=O)OCCOC(=O)C=C

DOS

IR

Vibrations