Geometry & MOs

Info

ID:	48653
PubChem CID:	11110285
Reduced:	BrOC17H29 (1)
Stoich.:	ABC17D29 (1)
Weight, g/mol:	329.183838
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	2.72
IP(EA), eV:	-10.2(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S,6S)-2-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC[C@H]1[C@@H](O1)C#CBr

DOS

IR

Vibrations