Geometry & MOs

Info

ID:	311379
PubChem CID:	126591263
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	221.126323
ΔH_f, kcal/mol:	-231.43
Dipole, Da:	6.84
IP(EA), eV:	-9.44(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-amino-2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=O)N2[C@@H]3C([C@H]([C@@H](C(O3)CO)O)O)O

DOS

IR

Vibrations