Geometry & MOs

Info

ID:	311285
PubChem CID:	126590236
Reduced:	FSN3O3C24H26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	488.247521
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	8.42
IP(EA), eV:	-8.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-azaspiro[2.5]octan-6-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C/C=C\NC(C1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)NC(=O)CC(=O)C)F)C(C)C

DOS

IR

Vibrations