Geometry & MOs

Info

ID:	224417
PubChem CID:	85342741
Reduced:	PO10C18H31 (1)
Stoich.:	AB10C18D31 (1)
Weight, g/mol:	438.167853
ΔH_f, kcal/mol:	-533.8
Dipole, Da:	4.69
IP(EA), eV:	-9.98(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-acetyloxy-7-(4-acetyloxyphenyl)-5-oxohept-3-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)OC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C)OCC

DOS

IR

Vibrations