Geometry & MOs

Info

ID:	59750
PubChem CID:	24895648
Reduced:	SF3O3N4C18H19 (1)
Stoich.:	AB3C3D4E18F19 (1)
Weight, g/mol:	557.16149
ΔH_f, kcal/mol:	-181.28
Dipole, Da:	2.54
IP(EA), eV:	-9.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]phenyl]-2-(2-methylpropyl)benzoic acid;trihydrochloride

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC=C)CC=C

DOS

IR

Vibrations