Geometry & MOs

Info

ID:	268959
PubChem CID:	103603078
Reduced:	NSCl2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	6.87
IP(EA), eV:	-8.73(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonyl)ethyl]pentan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NCCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations