Geometry & MOs

Info

ID:

178821

PubChem CID:

76385843

Reduced:

SO8C20H22 (2)

Stoich.:

AB8C20D22 (2)

Weight, g/mol:

630.177098

ΔHf, kcal/mol:

-628.8

Dipole, Da:

6.98

IP(EA), eV:

 -8.69(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-acetyloxy-6-[(4-acetyloxy-3-phenylsulfanyl-2,6-dioxabicyclo[3.2.1]octan-8-yl)oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)SC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OC(=O)C)OC(=O)C

DOS

IR

Vibrations