Geometry & MOs

Info

ID:

218848

PubChem CID:

85090059

Reduced:

PO5C30H45 (1)

Stoich.:

AB5C30D45 (1)

Weight, g/mol:

516.251885

ΔHf, kcal/mol:

-299.22

Dipole, Da:

4.43

IP(EA), eV:

 -8.66(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-hydroxy-7,11-dimethyl-6-(2-trimethylsilyloxiran-2-yl)-4-oxapentacyclo[8.8.0.02,7.03,5.011,16]octadecan-6-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(CCCC2)C(=C1)C=CC(=O)C(C3CCCC3)(C4CCCC4)P(=O)(OC)OC)O

DOS

IR

Vibrations