Geometry & MOs

Info

ID:	418044
PubChem CID:	135103375
Reduced:	OSF3N6C17H19 (1)
Stoich.:	ABC3D6E17F19 (1)
Weight, g/mol:	361.075072
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	11.79
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)N3CCN(CC3)C4=NN=C(S4)C(F)(F)F

DOS

IR

Vibrations