Geometry & MOs

Info

ID:

299330

PubChem CID:

117682662

Reduced:

PO7C9H16 (2)

Stoich.:

AB7C9D16 (2)

Weight, g/mol:

492.07978

ΔHf, kcal/mol:

-771.0

Dipole, Da:

4.38

IP(EA), eV:

 -10.23(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9,12,18-trihydroxy-8,17-dimethyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-3-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CC1C(C2C(O1)COP(=O)(OC3C(OC(C3O)COP(=O)(O2)O)C)OCOC(=O)C(C)(C)C)O

DOS

IR

Vibrations