Geometry & MOs

Info

ID:	132393
PubChem CID:	51356089
Reduced:	NSO2C11H13 (3)
Stoich.:	ABC2D11E13 (3)
Weight, g/mol:	163.100857
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	8.68
IP(EA), eV:	-7.74(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-5-[(1S)-1-fluoroethyl]piperidine-3,4-diol

Drug info:

PubChemData

Smile

CN(C)C(=S)OC1=C(C=C2CC3=CC(=C(C=C3CC4=CC(=C(C=C4CC2=C1)OC)OC(=S)N(C)C)OC)OC(=S)N(C)C)OC

DOS

IR

Vibrations