Geometry & MOs

Info

ID:

329593

PubChem CID:

126738786

Reduced:

BrSN2F3O3H15C21 (2)

Stoich.:

ABC2D3E3F15G21 (2)

Weight, g/mol:

568.262697

ΔHf, kcal/mol:

-355.81

Dipole, Da:

23.84

IP(EA), eV:

 -8.56(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

5,7-bis[(E)-2-(1H-indol-2-yl)ethenyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaene

Drug info:

PubChemData

Smile

C1C2=C(C3=C(C=C2)CC[N+]4=C3C=C(C=C4)/C=C/C5=CNC6=C5C=C(C=C6)Br)C7=[N+](C1)C=CC(=C7)/C=C/C8=CNC9=C8C=C(C=C9)Br.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F

DOS

IR

Vibrations