Geometry & MOs

Info

ID:	48200
PubChem CID:	10537859
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	238.105253
ΔH_f, kcal/mol:	48.68
Dipole, Da:	1.92
IP(EA), eV:	-9.19(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(1-hydroxypropan-2-yloxy)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C/C(=C\CC1=CC=CC=C1)/C(C2=CC=CC=C2)N

DOS

IR

Vibrations