Geometry & MOs

Info

ID:

15335

PubChem CID:

438200

Reduced:

O5H7C15 (2)

Stoich.:

A5B7C15 (2)

Weight, g/mol:

534.058697

ΔHf, kcal/mol:

-339.95

Dipole, Da:

4.08

IP(EA), eV:

 -8.76(-2.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,11,13,16,18,20-hexahydroxy-24-methyl-7,22-dioxooctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C(=O)O)O)O)O

DOS

IR

Vibrations