Geometry & MOs

Info

ID:

319944

PubChem CID:

126657644

Reduced:

ON8H28C29 (1)

Stoich.:

AB8C28D29 (1)

Weight, g/mol:

541.175004

ΔHf, kcal/mol:

206.75

Dipole, Da:

5.24

IP(EA), eV:

 -8.04(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-methyl-4-oxo-2-oxa-3,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,14-pentaene-13-carbonyl)-1H-indol-5-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C#CC1=N/C(=C\2/C3=C(NN2)N=CC(=C3)C4=CN=CC(=C4)CNCC5CCCC5)/N=C1/C(=C\N)/C6=COC=C6

DOS

IR

Vibrations