Geometry & MOs

Info

ID:	302871
PubChem CID:	124397857
Reduced:	NO11C20H23 (1)
Stoich.:	AB11C20D23 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-469.87
Dipole, Da:	8.36
IP(EA), eV:	-9.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]([C@@H]([C@@H](C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations