Geometry & MOs

Info

ID:

163636

PubChem CID:

58106480

Reduced:

FSH11C21 (2)

Stoich.:

ABC11D21 (2)

Weight, g/mol:

440.069343

ΔHf, kcal/mol:

124.85

Dipole, Da:

1.51

IP(EA), eV:

 -8.56(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,13-diphenyl-3,12-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,4,6,8,10,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=C5C(=CC=C6C5=C(C=C4)C7=C(SC(=C67)C8=CC=C(C=C8)F)C9=CC=C(C=C9)F)C3=C(S2)C1=CC=CC=C1

DOS

IR

Vibrations