Geometry & MOs

Info

ID:	271481
PubChem CID:	103680725
Reduced:	NSF3O3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	271.124215
ΔH_f, kcal/mol:	-274.92
Dipole, Da:	4.52
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxypentyl)-2-methylsulfonylaniline

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1NCC(C(F)(F)F)O

DOS

IR

Vibrations