Geometry & MOs

Info

ID:

180008

PubChem CID:

76566649

Reduced:

N4O4H13C19 (2)

Stoich.:

A4B4C13D19 (2)

Weight, g/mol:

656.192051

ΔHf, kcal/mol:

-120.06

Dipole, Da:

12.68

IP(EA), eV:

 -9.34(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,12,15,23,27,35,38,46-octazaheptacyclo[24.20.0.03,24.06,11.016,21.029,34.039,44]hexatetraconta-1,3,5,7,9,11,15,17,19,21,24,26,28,30,32,34,38,40,42,44-icosaene-13,14,36,37-tetrone

Drug info:

PubChemData

Smile

C1C2C(=CC3=NC(=O)C4=CC=CC=C4NC(=O)C(=O)NC5=CC=CC=C5C(=O)N=C31)NC(=O)C6=CC=CC=C6NC(=O)C(=O)NC7=CC=CC=C7C(=O)N2

DOS

IR

Vibrations