Geometry & MOs

Info

ID:	382327
PubChem CID:	134973407
Reduced:	O6C21H22 (1)
Stoich.:	A6B21C22 (1)
Weight, g/mol:	473.168581
ΔH_f, kcal/mol:	-179.53
Dipole, Da:	3.87
IP(EA), eV:	-9.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R,8aR)-6-methoxy-7-(nitromethyl)-2-phenyl-8-phenylmethoxy-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl] acetate

Drug info:

PubChemData

Smile

CO[C@H]1C(=O)[C@H]([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations