Geometry & MOs

Info

ID:	305138
PubChem CID:	124766570
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	1.04
IP(EA), eV:	-8.1(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-2-(4-methoxyanilino)-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC2=CC=C(C=C2)OC)O)O)O

DOS

IR

Vibrations