Geometry & MOs

Info

ID:	184720
PubChem CID:	77197865
Reduced:	N2S2O5C22H28 (1)
Stoich.:	A2B2C5D22E28 (1)
Weight, g/mol:	285.095413
ΔH_f, kcal/mol:	-140.42
Dipole, Da:	3.68
IP(EA), eV:	-9.45(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-chlorophenoxy)-2-ethylsulfanylethyl]pyrrolidine

Drug info:

PubChemData

Smile

CCC#CCC1(CCC1)C(C=CC2C(OC(=O)N2CCSC3=NC(=CS3)C(=O)O)C)O

DOS

IR

Vibrations