Geometry & MOs

Info

ID:

83049

PubChem CID:

49857064

Reduced:

NSeO3H15C16 (1)

Stoich.:

ABC3D15E16 (1)

Weight, g/mol:

434.168916

ΔHf, kcal/mol:

3.15

Dipole, Da:

3.28

IP(EA), eV:

 -9.06(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-[[(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-diazonioethenolate

Drug info:

PubChemData

Smile

C1CO[C@@H]([C@H]1[Se]C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations