Geometry & MOs

Info

ID:	231500
PubChem CID:	87573935
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	339.111599
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	3.46
IP(EA), eV:	-9.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2,2-trifluoroacetyl) 1-(piperidin-4-ylmethyl)-2-sulfanylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations