Geometry & MOs

Info

ID:

47532

PubChem CID:

10533901

Reduced:

SiO17C50H56 (1)

Stoich.:

AB17C50D56 (1)

Weight, g/mol:

964.389473

ΔHf, kcal/mol:

-651.92

Dipole, Da:

4.37

IP(EA), eV:

 -8.62(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,6R,7S,8R,8aS)-7-azido-8-[(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxy-6-[2-(4-nitrophenyl)ethoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]2[C@@H](CO[C@@H](O2)C3=CC=C(C=C3)OC)O[C@@H]([C@@H]1OC(=O)C)O[C@H]4[C@H](O[C@H]([C@@H]([C@H]4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCC[Si](C)(C)C)COC(=O)C7=CC=CC=C7

DOS

IR

Vibrations