Geometry & MOs

Info

ID:	231501
PubChem CID:	87573936
Reduced:	NSF3O3C14H20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	317.090864
ΔH_f, kcal/mol:	-293.81
Dipole, Da:	6.71
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-(3-aminopropyl)-2-sulfanylcyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)(CC2CCNCC2)C(=O)OC(=O)C(F)(F)F)S

DOS

IR

Vibrations