Geometry & MOs

Info

ID:

320259

PubChem CID:

126659069

Reduced:

NOS2F3C22H28 (1)

Stoich.:

ABC2D3E22F28 (1)

Weight, g/mol:

850.334799

ΔHf, kcal/mol:

-142.52

Dipole, Da:

3.51

IP(EA), eV:

 -8.94(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-3-[4-(7,10,16-triphenyl-23-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8(13),9,11,14,16,18,20(28),21,23,25-tetradecaenyl)phenyl]-1,2-dihydrobenzimidazole

Drug info:

PubChemData

Smile

C[C@@H](CCC(=C(F)F)F)C/C=C/[C@H]1CCC(=C)C1CCSC2=NC(=CS2)C(=O)C

DOS

IR

Vibrations