Geometry & MOs

Info

ID:	147596
PubChem CID:	53787252
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	452.293803
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	4.82
IP(EA), eV:	-9.6(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-fluoro-3-oxooctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)[C@H](CCCN)N)C(=O)O

DOS

IR

Vibrations