Geometry & MOs

Info

ID:

394186

PubChem CID:

135022492

Reduced:

N2O11C33H38 (1)

Stoich.:

A2B11C33D38 (1)

Weight, g/mol:

365.199094

ΔHf, kcal/mol:

-379.17

Dipole, Da:

2.61

IP(EA), eV:

 -9.64(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3aR,4R,6S,8aR,8bS)-6-methyl-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine

Drug info:

PubChemData

Smile

CN([C@@H]1[C@@H]([C@@H]([C@@H]2[C@@H]([C@H]1O)O[C@H]3[C@@](O2)(C(=O)C(C(=C)O3)CC=C)O)N(C)C(=O)OCC4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations