Geometry & MOs

Info

ID:

329069

PubChem CID:

126731042

Reduced:

O11F13C20H25 (1)

Stoich.:

A11B13C20D25 (1)

Weight, g/mol:

1086.400771

ΔHf, kcal/mol:

-1149.09

Dipole, Da:

4.61

IP(EA), eV:

 -10.41(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-(N-(7,7-diphenylbenzo[a]phenalen-9-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

Drug info:

PubChemData

Smile

C(CO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations