Geometry & MOs

Info

ID:

225119

PubChem CID:

85741822

Reduced:

BHOC18F22 (1)

Stoich.:

ABCD18E22 (1)

Weight, g/mol:

444.048132

ΔHf, kcal/mol:

-1151.18

Dipole, Da:

4.12

IP(EA), eV:

-11.77(-2.6)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene-5,6,14,15,24,25-hexol

Drug info:

PubChemData

Smile

B(C1=C(C(=C(C(=C1F)C(F)(F)F)C(F)(F)F)C(F)(F)F)F)(C2=C(C(=C(C(=C2F)C(F)(F)F)C(F)(F)F)C(F)(F)F)F)O

DOS

IR

Vibrations