Geometry & MOs

Info

ID:

315743

PubChem CID:

126628654

Reduced:

BrO4N6C88H111 (1)

Stoich.:

AB4C6D88E111 (1)

Weight, g/mol:

1393.909161

ΔHf, kcal/mol:

-138.76

Dipole, Da:

1.12

IP(EA), eV:

 -9.28(-2.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14,32-bis(2-decyltetradecyl)-5,23-diphenyl-3,7,14,21,25,32-hexazaundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2(26),3,5,7,9,11,16,18,20,22,24,27,29,34(38),35,39-heptadecaene-13,15,31,33-tetrone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C4N=C6C(=C7C(=C(C6=N5)C8=CC=CC=C8)N=C9C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)C9=N7)Br)C1=O

DOS

IR

Vibrations