Geometry & MOs

Info

ID:	214074
PubChem CID:	81066946
Reduced:	NSF2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	307.087829
ΔH_f, kcal/mol:	-245.44
Dipole, Da:	7.27
IP(EA), eV:	-10.29(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(naphthalen-2-ylsulfonylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=CC(=C(C=C1)F)F

DOS

IR

Vibrations