Geometry & MOs

Info

ID:	396524
PubChem CID:	135028624
Reduced:	FO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-197.51
Dipole, Da:	2.76
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4aR,6S,7R,8R,8aS)-8-amino-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)OCC4=CC=CC=C4)F

DOS

IR

Vibrations