Geometry & MOs

Info

ID:

219513

PubChem CID:

85148781

Reduced:

ClN7C30H30 (1)

Stoich.:

AB7C30D30 (1)

Weight, g/mol:

520.197137

ΔHf, kcal/mol:

174.75

Dipole, Da:

9.26

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-N,22-N-bis(2-aminoethyl)-15-oxo-2,5,23,26-tetrazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1(26),2,4(9),5,7,10,12,16(25),17,19(24),20,22-dodecaene-6,22-dicarboxamide

Drug info:

PubChemData

Smile

CCCCC1=NC2=CN=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5)C6=CC=CC=C6Cl

DOS

IR

Vibrations