Geometry & MOs

Info

ID:	285443
PubChem CID:	104105258
Reduced:	BrFNSO5C12H15 (1)
Stoich.:	ABCDE5F12G15 (1)
Weight, g/mol:	319.120192
ΔH_f, kcal/mol:	-245.09
Dipole, Da:	2.64
IP(EA), eV:	-10.45(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-hydroxypentan-2-ylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CC(C)O)NS(=O)(=O)C1=CC(=CC(=C1F)C(=O)O)Br

DOS

IR

Vibrations