Geometry & MOs

Info

ID:

299329

PubChem CID:

117682660

Reduced:

P2O12C13H24 (1)

Stoich.:

A2B12C13D24 (1)

Weight, g/mol:

534.12673

ΔHf, kcal/mol:

-662.96

Dipole, Da:

5.05

IP(EA), eV:

 -10.29(0.08)

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 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations