Geometry & MOs

Info

ID:

15821

PubChem CID:

452242

Reduced:

O26H28C41 (1)

Stoich.:

A26B28C41 (1)

Weight, g/mol:

936.086881

ΔHf, kcal/mol:

-915.38

Dipole, Da:

6.24

IP(EA), eV:

 -8.99(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

DOS

IR

Vibrations