Geometry & MOs

Info

ID:	382042
PubChem CID:	134972947
Reduced:	N4O6C37H40 (1)
Stoich.:	A4B6C37D40 (1)
Weight, g/mol:	206.079038
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	3.69
IP(EA), eV:	-9.27(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@H](CN=[N+]=[N-])OCC1=CC=CC=C1)C(=O)C([C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations