Geometry & MOs

Info

ID:

376496

PubChem CID:

134222512

Reduced:

O4N5C32H43 (2)

Stoich.:

A4B5C32D43 (2)

Weight, g/mol:

1008.59493

ΔHf, kcal/mol:

-70.08

Dipole, Da:

17.71

IP(EA), eV:

 -8.13(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(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