Geometry & MOs

Info

ID:	19728
PubChem CID:	571435
Reduced:	OH3C4 (12)
Stoich.:	AB3C4 (12)
Weight, g/mol:	804.220677
ΔH_f, kcal/mol:	-300.96
Dipole, Da:	3.53
IP(EA), eV:	-9.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,6-pentabenzoyloxyhex-5-enyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC(C(C(C(=COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations