Geometry & MOs

Info

ID:	59845
PubChem CID:	24899658
Reduced:	O25C63H110 (1)
Stoich.:	A25B63C110 (1)
Weight, g/mol:	330.288243
ΔH_f, kcal/mol:	-1235.37
Dipole, Da:	5.95
IP(EA), eV:	-9.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-3-[(dodecylamino)methyl]piperidine-3,4,5-triol

Drug info:

Smile

CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)[C@@H](C)CC)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)OC(=O)CCCCCC[C@@H](CCCC)O)C)O[C@@H]6[C@H]([C@H]([C@H](O[C@H]6O1)C)O)O)O

DOS

IR

Vibrations