Geometry & MOs

Info

ID:	291541
PubChem CID:	113415006
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	321.00006
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	5.88
IP(EA), eV:	-9.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-6-methylpyridin-2-yl)oxy-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(C1)S(=O)(=O)C2=CNN=C2

DOS

IR

Vibrations