Geometry & MOs

Info

ID:

376508

PubChem CID:

134222525

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

800.520034

ΔHf, kcal/mol:

-52.56

Dipole, Da:

11.14

IP(EA), eV:

 -8.29(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations