Geometry & MOs

Info

ID:	278703
PubChem CID:	103837106
Reduced:	FNSO5C11H14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	319.088972
ΔH_f, kcal/mol:	-233.29
Dipole, Da:	7.35
IP(EA), eV:	-10.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(3-hydroxypentylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](CO)NS(=O)(=O)C1=C(C=CC(=C1)F)C(=O)OC

DOS

IR

Vibrations