Geometry & MOs

Info

ID:	9605
PubChem CID:	91434
Reduced:	NO6C14H17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	295.105587
ΔH_f, kcal/mol:	-215.26
Dipole, Da:	5.34
IP(EA), eV:	-10.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations