Geometry & MOs

Info

ID:	343917
PubChem CID:	127267093
Reduced:	SF2N3O3C12H13 (1)
Stoich.:	AB2C3D3E12F13 (1)
Weight, g/mol:	339.088892
ΔH_f, kcal/mol:	-169.07
Dipole, Da:	12.19
IP(EA), eV:	-8.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(N=C1)S(=O)(=O)NC2=C(C(=CC(=C2)F)F)O

DOS

IR

Vibrations