Geometry & MOs

Info

ID:

376506

PubChem CID:

134222523

Reduced:

SN6O10C42H62 (1)

Stoich.:

AB6C10D42E62 (1)

Weight, g/mol:

488.253589

ΔHf, kcal/mol:

-319.77

Dipole, Da:

2.72

IP(EA), eV:

 -8.9(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-4-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(3-methylbutyl)aniline

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]2[C@@H]3/C(=N\O[C@@H](C)C4=NN=C(S4)C5=CC=CC=N5)/N=C1[C@@H](C[C@@]([C@@H]([C@H](C([C@H](C(=O)OC(C2OC3=O)CC)C)O)C)OC6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)OC)C

DOS

IR

Vibrations