Geometry & MOs

Info

ID:

186946

PubChem CID:

77508145

Reduced:

SCl2O3N6C24H28 (1)

Stoich.:

AB2C3D6E24F28 (1)

Weight, g/mol:

499.315855

ΔHf, kcal/mol:

-72.79

Dipole, Da:

5.09

IP(EA), eV:

 -8.96(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,3-dimethyl-1-[6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxobutan-2-yl]-4-(4-propylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC2=NC=C(C(=C21)CCN3CC(C(C3)O)CNCC4=CC5=C(C=N4)OCS5)C#N.Cl.Cl

DOS

IR

Vibrations