Geometry & MOs

Info

ID:

52531

PubChem CID:

12015427

Reduced:

NOH8C12 (4)

Stoich.:

ABC8D12 (4)

Weight, g/mol:

690.230728

ΔHf, kcal/mol:

149.82

Dipole, Da:

7.56

IP(EA), eV:

 -8.42(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,40-diphenyl-11,40-diazaundecacyclo[20.16.2.02,21.03,8.09,14.010,31.013,30.015,20.023,38.024,29.032,37]tetraconta-2(21),3,5,7,9(14),15,17,19,23(38),24,26,28,30,32,34,36-hexadecaene-12,39-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C\3C(=O)N(C2/C/4=C\5/C(=C/6\C(=C\7/C(=C34)/C=CC=C7)\C8N(C(=O)C6C(=O)N8C9=CC=CC=C9)C1=CC=CC=C1)/C=CC=C5)C1=CC=CC=C1

DOS

IR

Vibrations