Geometry & MOs

Info

ID:

395860

PubChem CID:

135026738

Reduced:

SO5C14H18 (1)

Stoich.:

AB5C14D18 (1)

Weight, g/mol:

452.198759

ΔHf, kcal/mol:

-180.89

Dipole, Da:

6.96

IP(EA), eV:

-8.75(-0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,2R,4S,7R,9R,9'R,10'R,12'S)-1,4',9',11-tetramethylspiro[13-oxapentacyclo[7.6.1.02,4.05,16.010,14]hexadeca-5(16),10,14-triene-7,13'-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1,3,7-triene]-5',12-dione

Drug info:

PubChemData

Smile

COC(=O)C1CC(C2=CC=CC=C2O1)(C[S+](=O)(C)C)[O-]

DOS

IR

Vibrations