Geometry & MOs

Info

ID:	240685
PubChem CID:	93617080
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	329.06009
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	5.22
IP(EA), eV:	-9.93(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H](C)NS(=O)(=O)C1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations