Geometry & MOs

Info

ID:	147890
PubChem CID:	53787549
Reduced:	NO9C14H21 (1)
Stoich.:	AB9C14D21 (1)
Weight, g/mol:	480.387526
ΔH_f, kcal/mol:	-375.83
Dipole, Da:	3.85
IP(EA), eV:	-10.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[6-[[(2S,4R)-4-pentadecyloxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium

Drug info:

PubChemData

Smile

CC(C(=O)[C@@H]1[C@@]([C@]([C@@](C(O1)N)(C(=O)C)O)(C(=O)C)O)(C(=O)C)O)O

DOS

IR

Vibrations