Geometry & MOs

Info

ID:	311268
PubChem CID:	126590105
Reduced:	FSO2N4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	530.294471
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	6.55
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-azaspiro[5.5]undecan-3-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC=O)F

DOS

IR

Vibrations