Geometry & MOs

Info

ID:

376494

PubChem CID:

134222510

Reduced:

N6O9C46H58 (1)

Stoich.:

A6B9C46D58 (1)

Weight, g/mol:

1018.625562

ΔHf, kcal/mol:

-160.84

Dipole, Da:

13.45

IP(EA), eV:

 -8.27(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)OCCN(CCC)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3OC)N=NC4=CC=C(C=C4)[N+](=O)[O-])OC)C(=O)OC

DOS

IR

Vibrations