Geometry & MOs

Info

ID:	133634
PubChem CID:	51567091
Reduced:	S2N3O5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	322.03161
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	5.79
IP(EA), eV:	-9.59(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]hexanoate

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/SC1=NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations