Geometry & MOs

Info

ID:	147169
PubChem CID:	53786822
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	454.309453
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	2.96
IP(EA), eV:	-9.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S,3R)-2-[(4R)-4-fluorooctyl]-3-methyl-5-oxocyclopentyl]-2-(oxan-2-yloxy)hept-5-enoic acid

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1CON=C(C)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations