Geometry & MOs

Info

ID:	46880
PubChem CID:	10528079
Reduced:	NO3H29C31 (1)
Stoich.:	AB3C29D31 (1)
Weight, g/mol:	464.077718
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	2.22
IP(EA), eV:	-7.64(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,6S,7R,8R,8aR)-7-benzoyloxy-6-methoxy-2,2-dioxo-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxathiin-8-yl] benzoate

Drug info:

PubChemData

Smile

CN1CC2=CC(=C(C=C2C(=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)OC)OCC5=CC=CC=C5

DOS

IR

Vibrations