Geometry & MOs

Info

ID:	323088
PubChem CID:	126672216
Reduced:	NSO3F4C18H25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	241.240565
ΔH_f, kcal/mol:	-318.76
Dipole, Da:	2.8
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-nonan-2-ylpiperidin-3-ol

Drug info:

PubChemData

Smile

CCCC[S@@](=O)N[C@](C)(C1=CC=CC=C1F)C(CC(C(=O)OCC)F)(F)F

DOS

IR

Vibrations