Geometry & MOs

Info

ID:

44933

PubChem CID:

10506631

Reduced:

ClSO2N4H25C30 (1)

Stoich.:

ABC2D4E25F30 (1)

Weight, g/mol:

539.99094

ΔHf, kcal/mol:

64.92

Dipole, Da:

7.72

IP(EA), eV:

 -8.49(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(13-methyl-6,13-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaen-6-yl)hexanoic acid;bromide;iodide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C3=C(C4=C(CCCC4)N=C3S2)C5=CC=C(C=C5)Cl)N6C=CC=C6

DOS

IR

Vibrations