Geometry & MOs

Info

ID:

394408

PubChem CID:

135022921

Reduced:

NO6H27C35 (1)

Stoich.:

AB6C27D35 (1)

Weight, g/mol:

894.397913

ΔHf, kcal/mol:

-39.31

Dipole, Da:

5.46

IP(EA), eV:

 -9.6(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-8-[(2S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CC2=CC(=O)C3=CC=CC=C3O2)C(C(CC4=CC(=O)C5=CC=CC=C5O4)C6=CC=CC=C6)[N+](=O)[O-]

DOS

IR

Vibrations