Geometry & MOs

Info

ID:	436619
PubChem CID:	135206194
Reduced:	BrClFHINC5 (1)
Stoich.:	ABCDEFG5 (1)
Weight, g/mol:	515.315935
ΔH_f, kcal/mol:	7.96
Dipole, Da:	0.87
IP(EA), eV:	-10.01(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-(2-methylbutoxy)pyridin-3-yl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)Cl)I)F)Br

DOS

IR

Vibrations