Geometry & MOs

Info

ID:

83050

PubChem CID:

49857067

Reduced:

N2O8C21H26 (1)

Stoich.:

A2B8C21D26 (1)

Weight, g/mol:

435.176741

ΔHf, kcal/mol:

-262.46

Dipole, Da:

2.53

IP(EA), eV:

 -9.77(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(E)-2-[[(2R,4aR,6S,7S,8S,8aR)-8-(2,2-dimethylpropanoyloxy)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@H]([C@H]1O/C(=C/[N+]#N)/[O-])OC

DOS

IR

Vibrations