Geometry & MOs

Info

ID:

299331

PubChem CID:

117682663

Reduced:

P2O14C15H26 (1)

Stoich.:

A2B14C15D26 (1)

Weight, g/mol:

564.100909

ΔHf, kcal/mol:

-753.34

Dipole, Da:

2.45

IP(EA), eV:

 -10.34(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11-(acetyloxymethoxy)-17,18-dihydroxy-8,16-dimethyl-3,11-dioxo-2,4,7,10,12,15-hexaoxa-3lambda5,11lambda5-diphosphatricyclo[12.2.1.16,9]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)O

DOS

IR

Vibrations