Geometry & MOs

Info

ID:

149061

PubChem CID:

53788732

Reduced:

N2O11C41H46 (1)

Stoich.:

A2B11C41D46 (1)

Weight, g/mol:

711.156989

ΔHf, kcal/mol:

-341.73

Dipole, Da:

4.32

IP(EA), eV:

 -8.66(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-6-[(4-ethylsulfinyloxyphenyl)diazenyl]-7-methyl-3-[[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)[C@@H]6[C@H]([C@@H]([C@H](C(O6)O[C@H]7C=C[C@H]8[C@H]9CC1=C2[C@]8([C@H]7OC2=C(C=C1)OC)CCN9C)O)O)O)O[C@H]3[C@H](C=C4)O

DOS

IR

Vibrations