Geometry & MOs

Info

ID:

318683

PubChem CID:

126652690

Reduced:

O5H18C25 (1)

Stoich.:

A5B18C25 (1)

Weight, g/mol:

866.169429

ΔHf, kcal/mol:

-103.01

Dipole, Da:

4.15

IP(EA), eV:

 -8.77(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(3aR,6S,6aR)-6-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonyl]phenyl] 4-(2-prop-2-enoyloxyacetyl)oxybenzoate

Drug info:

PubChemData

Smile

C=CC(=O)OCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations