Geometry & MOs

Info

ID:	148912
PubChem CID:	53788582
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	452.277404
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	8.25
IP(EA), eV:	-10.26(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-7-[(1R,2R,3R)-3-hydroxy-2-oct-1-enyl-5-oxocyclopentyl]-2-(oxan-2-yloxy)hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)CCCC

DOS

IR

Vibrations