Geometry & MOs

Info

ID:	414604
PubChem CID:	135087563
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	371.095807
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	3.0
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-(4-chlorophenyl)sulfanylacetyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N)OC

DOS

IR

Vibrations