Geometry & MOs

Info

ID:	155482
PubChem CID:	56365818
Reduced:	FSN2O7C21H23 (1)
Stoich.:	ABC2D7E21F23 (1)
Weight, g/mol:	420.090369
ΔH_f, kcal/mol:	-289.16
Dipole, Da:	12.11
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-4-[(6-pyrazol-1-ylpyridin-3-yl)sulfamoyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OCCCC(=O)O)F

DOS

IR

Vibrations