Geometry & MOs

Info

ID:	272843
PubChem CID:	103761891
Reduced:	NSO4C15H31 (1)
Stoich.:	ABC4D15E31 (1)
Weight, g/mol:	279.049606
ΔH_f, kcal/mol:	-236.5
Dipole, Da:	5.24
IP(EA), eV:	-9.79(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-2-fluorophenyl)methyl]-2-ethylsulfonylethanamine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)CCC(C)(C)C

DOS

IR

Vibrations