Geometry & MOs

Info

ID:	212103
PubChem CID:	81059502
Reduced:	BrNS2O5C11H16 (1)
Stoich.:	ABC2D5E11F16 (1)
Weight, g/mol:	302.093643
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	11.96
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl(2-propan-2-yloxyethyl)sulfamoyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(SC(=C1)C(=O)O)Br

DOS

IR

Vibrations