Geometry & MOs

Info

ID:

178720

PubChem CID:

76372947

Reduced:

N4O6C23H26 (1)

Stoich.:

A4B6C23D26 (1)

Weight, g/mol:

422.122634

ΔHf, kcal/mol:

-189.4

Dipole, Da:

5.77

IP(EA), eV:

 -8.38(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,8,24,26-tetraoxa-12,14,18,20-tetrazaheptacyclo[16.11.0.02,14.03,11.05,9.021,29.023,27]nonacosa-3,5(9),10,21,23(27),28-hexaene-13,19-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3C4C5=CC(=C(C=C5NC(=O)N4CCCN3C(=O)N2)OC)OC)OC

DOS

IR

Vibrations