Geometry & MOs

Info

ID:	436662
PubChem CID:	135207091
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	566.295614
ΔH_f, kcal/mol:	-210.82
Dipole, Da:	4.04
IP(EA), eV:	-9.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[3-fluoro-4-[2-(3-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC[C@H]([C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)O

DOS

IR

Vibrations