Geometry & MOs

Info

ID:

376490

PubChem CID:

134222506

Reduced:

O3N5C26H32 (2)

Stoich.:

A3B5C26D32 (2)

Weight, g/mol:

1038.569109

ΔHf, kcal/mol:

64.64

Dipole, Da:

14.28

IP(EA), eV:

 -8.21(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)C1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)OC)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-])OC

DOS

IR

Vibrations