Geometry & MOs

Info

ID:

1748

PubChem CID:

4978

Reduced:

O9H16C30 (1)

Stoich.:

A9B16C30 (1)

Weight, g/mol:

520.079432

ΔHf, kcal/mol:

-309.58

Dipole, Da:

3.8

IP(EA), eV:

 -8.6(-2.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[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-7,22-dione

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)CO)O)O)O

DOS

IR

Vibrations