Geometry & MOs

Info

ID:	378438
PubChem CID:	134224519
Reduced:	N2O7C11H20 (1)
Stoich.:	A2B7C11D20 (1)
Weight, g/mol:	515.382203
ΔH_f, kcal/mol:	-314.68
Dipole, Da:	5.75
IP(EA), eV:	-9.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-decanoyloxy-3-[(2R,3S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]propyl] decanoate

Drug info:

PubChemData

Smile

C(CN(CC(=O)O)CC(=O)O)[C@@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O

DOS

IR

Vibrations