Geometry & MOs

Info

ID:	220665
PubChem CID:	85201802
Reduced:	O7H30C34 (1)
Stoich.:	A7B30C34 (1)
Weight, g/mol:	550.293054
ΔH_f, kcal/mol:	-157.36
Dipole, Da:	4.51
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzoyloxy-2-(5-methoxy-5-oxopentyl)-3-(3-oxooctyl)cyclopentyl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C=CC(C2(C1(C(=C(C2=O)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

DOS

IR

Vibrations