Geometry & MOs

Info

ID:	257813
PubChem CID:	103148702
Reduced:	OSN2F3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	333.158549
ΔH_f, kcal/mol:	-189.82
Dipole, Da:	2.88
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylsulfonyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)CC1=NC=CS1

DOS

IR

Vibrations