Geometry & MOs

Info

ID:

168348

PubChem CID:

74955660

Reduced:

NiN3O3H23C26 (1)

Stoich.:

AB3C3D23E26 (1)

Weight, g/mol:

1588.585511

ΔHf, kcal/mol:

208.38

Dipole, Da:

6.11

IP(EA), eV:

 -7.68(-3.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxo-4-[3-oxo-3-[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylamino]propyl]-7-[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylamino]heptanoyl]amino]ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCC(=CN=C(C1=CC=CC=C1)C2=CC=CC=C2N=C(C3=CC=CC=N3)[O-])C(=O)[O-].[Ni+2]

DOS

IR

Vibrations