Geometry & MOs

Info

ID:

397656

PubChem CID:

135030534

Reduced:

OH34C35 (1)

Stoich.:

AB34C35 (1)

Weight, g/mol:

412.220244

ΔHf, kcal/mol:

84.71

Dipole, Da:

1.73

IP(EA), eV:

 -8.94(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,1'R,5'S,9R,11R,14S)-4-fluoro-9-phenylspiro[16-oxapentacyclo[7.6.1.111,14.02,7.010,15]heptadeca-2(7),3,5-triene-8,3'-tricyclo[3.2.1.02,4]octane]

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1C3C2[C@]4(C5(C6C5[C@H]7CC[C@@H]6C7)C8=CC=CC=C8[C@@]3(O4)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations