Geometry & MOs

Info

ID:

16703

PubChem CID:

475270

Reduced:

O21H24C34 (1)

Stoich.:

A21B24C34 (1)

Weight, g/mol:

768.081008

ΔHf, kcal/mol:

-754.87

Dipole, Da:

7.63

IP(EA), eV:

 -9.12(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,8,9,12,13,14,20,27,28,29,32,33,34-tridecahydroxy-3,18,21,38-tetraoxaheptacyclo[20.16.0.02,19.05,10.011,16.025,30.031,36]octatriaconta-5,7,9,11,13,15,25,27,29,31,33,35-dodecaene-4,17,24,37-tetrone

Drug info:

PubChemData

Smile

C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C1=O)O)O)O)O)O)O

DOS

IR

Vibrations