Geometry & MOs

Info

ID:

392744

PubChem CID:

135017834

Reduced:

O2C5F6H6 (1)

Stoich.:

A2B5C6D6 (1)

Weight, g/mol:

1198.405911

ΔHf, kcal/mol:

-419.31

Dipole, Da:

3.3

IP(EA), eV:

-11.72(0.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(5S,7S,9R)-11-diazo-4-[(5S,7S,9R)-11-diazo-5-ethyl-15,18-bis(methoxymethoxy)-3,13,20-trioxo-7-(2,4,6-trimethylphenyl)-6,8-dioxapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(12),2(10),14,16,18-pentaen-4-yl]-5-ethyl-15,18-bis(methoxymethoxy)-7-(2,4,6-trimethylphenyl)-6,8-dioxapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(12),2(10),14,16,18-pentaene-3,13,20-trione

Drug info:

PubChemData

Smile

C([C@H](C(F)(F)F)O)[C@H](C(F)(F)F)O

DOS

IR

Vibrations