Geometry & MOs

Info

ID:	422878
PubChem CID:	135118553
Reduced:	SF2N4O4C12H18 (1)
Stoich.:	AB2C4D4E12F18 (1)
Weight, g/mol:	380.18667
ΔH_f, kcal/mol:	-218.19
Dipole, Da:	6.24
IP(EA), eV:	-9.8(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[1-(4-chlorophenyl)piperidin-4-yl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NN(C=C2)C(F)F

DOS

IR

Vibrations