Geometry & MOs

Info

ID:

177475

PubChem CID:

76191164

Reduced:

O9C22H22 (1)

Stoich.:

A9B22C22 (1)

Weight, g/mol:

628.303618

ΔHf, kcal/mol:

-338.91

Dipole, Da:

3.52

IP(EA), eV:

 -9.14(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[16-hydroxy-8,12,12,25,25-pentamethyl-5-(3-methylbut-2-enyl)-18,22-dioxo-3,7,24-trioxaoctacyclo[19.4.1.02,19.02,23.04,17.06,15.08,13.011,14]hexacosa-4(17),5,15,19-tetraen-23-yl]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)OC4CC(C(C(O4)CO)O)O

DOS

IR

Vibrations