Geometry & MOs

Info

ID:

16701

PubChem CID:

475268

Reduced:

O13H18C20 (1)

Stoich.:

A13B18C20 (1)

Weight, g/mol:

466.074741

ΔHf, kcal/mol:

-493.23

Dipole, Da:

6.4

IP(EA), eV:

 -9.18(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5,11,14,20,21,22-octahydroxy-13-methyl-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione

Drug info:

PubChemData

Smile

CC1C(C2C(C(O1)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O2)O)O)O)O)O)O)O

DOS

IR

Vibrations