Geometry & MOs

Info

ID:	186257
PubChem CID:	77413388
Reduced:	O2C10H17 (2)
Stoich.:	A2B10C17 (2)
Weight, g/mol:	592.176137
ΔH_f, kcal/mol:	-210.85
Dipole, Da:	4.82
IP(EA), eV:	-9.88(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(oxan-2-yl)oct-1-enyl]-5-oxo-3-[(2,2,2-trichloroacetyl)oxymethyl]cyclopentyl]-2-oxohept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC(CCC(=CCO)C1CCCC1)C(=O)O)O

DOS

IR

Vibrations