Geometry & MOs

Info

ID:	189020
PubChem CID:	77804024
Reduced:	F3N3O3H16C23 (1)
Stoich.:	A3B3C3D16E23 (1)
Weight, g/mol:	422.303224
ΔH_f, kcal/mol:	-178.5
Dipole, Da:	4.11
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-7-(2-oct-1-enyl-5-oxo-3-propoxycyclopentyl)hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1C3=CN=C(C=C3)F)C(=O)NC(C4=CC(=CC=C4)F)O

DOS

IR

Vibrations