Geometry & MOs

Info

ID:	222707
PubChem CID:	85332042
Reduced:	FSN3O6C22H28 (1)
Stoich.:	ABC3D6E22F28 (1)
Weight, g/mol:	482.148929
ΔH_f, kcal/mol:	-283.55
Dipole, Da:	6.51
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)COC(=O)N=S1(=O)CCC(=CC1)C2=C(C=C(C=C2)N3CC(OC3=O)CNC(=O)C)F

DOS

IR

Vibrations