Geometry & MOs

Info

ID:	278440
PubChem CID:	103835722
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	319.088972
ΔH_f, kcal/mol:	-95.79
Dipole, Da:	3.61
IP(EA), eV:	-10.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(1-hydroxypentan-3-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCC(CCO)NS(=O)(=O)C1=C(C=C(C=C1)C#N)C

DOS

IR

Vibrations