Geometry & MOs

Info

ID:

219695

PubChem CID:

85164566

Reduced:

SO6C11H21 (2)

Stoich.:

AB6C11D21 (2)

Weight, g/mol:

562.329439

ΔHf, kcal/mol:

-542.45

Dipole, Da:

8.67

IP(EA), eV:

 -9.47(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,25-dihydroxy-9-methoxy-1,4,7,13,17,17,19,22-octamethyl-12,28-dioxapentacyclo[17.9.0.04,13.06,11.021,27]octacosa-6(11),7,9,15,21(27),22,25-heptaen-24-one

Drug info:

PubChemData

Smile

CC=CC(C(CCC(C(CCC(C(C=CC)OCOC)O)OS(=O)(=O)C)OS(=O)(=O)C)O)OCOC

DOS

IR

Vibrations