Geometry & MOs

Info

ID:	159643
PubChem CID:	57288572
Reduced:	N3O3C10H15 (2)
Stoich.:	A3B3C10D15 (2)
Weight, g/mol:	431.361074
ΔH_f, kcal/mol:	-201.13
Dipole, Da:	5.33
IP(EA), eV:	-9.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(octadecylamino)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC=CCOC1N=C(N=C(N1CCN2C(NC(=O)NC2=O)O)OCC=CC)OCC=CC

DOS

IR

Vibrations