Geometry & MOs

Info

ID:	396525
PubChem CID:	135028625
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-192.4
Dipole, Da:	0.53
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4aR,6S,7R,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)N)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations