Geometry & MOs

Info

ID:

394526

PubChem CID:

135023141

Reduced:

N2O13C30H42 (1)

Stoich.:

A2B13C30D42 (1)

Weight, g/mol:

639.276514

ΔHf, kcal/mol:

-479.86

Dipole, Da:

6.05

IP(EA), eV:

 -9.5(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(Z)-2-[[(6S,8aR)-8-(2,2-dimethylpropanoyloxy)-2-phenyl-6-[[(3R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-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)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H](C1O/C(=C\[N+]#N)/[O-])OCC4[C@H](C(C([C@H](O4)OC)OC)OC)OC

DOS

IR

Vibrations