Geometry & MOs

Info

ID:	250101
PubChem CID:	103094134
Reduced:	ClSN3O3C11H14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	6.45
IP(EA), eV:	-9.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-chloropyridin-2-yl)hexanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC(N1)CC(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations