Geometry & MOs

Info

ID:

394528

PubChem CID:

135023143

Reduced:

BrSO7C26H29 (1)

Stoich.:

ABC7D26E29 (1)

Weight, g/mol:

638.268689

ΔHf, kcal/mol:

-258.54

Dipole, Da:

3.29

IP(EA), eV:

 -9.05(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-[[(6R,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-diazonioethenolate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@H](C1OC(=O)CBr)SC4=CC=CC=C4

DOS

IR

Vibrations