Geometry & MOs

Info

ID:	231681
PubChem CID:	87574437
Reduced:	KS3O8C12H25 (1)
Stoich.:	AB3C8D12E25 (1)
Weight, g/mol:	327.111599
ΔH_f, kcal/mol:	-291.83
Dipole, Da:	23.58
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2,2-trifluoroacetyl) 1-(5-aminopentyl)-2-sulfanylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C(CCCCCCS)CCCCCOS(=O)(=O)OOS(=O)(=O)[O-].[K+]

DOS

IR

Vibrations