Geometry & MOs

Info

ID:

186951

PubChem CID:

77508159

Reduced:

ClO3F4N5C21H30 (1)

Stoich.:

AB3C4D5E21F30 (1)

Weight, g/mol:

528.277027

ΔHf, kcal/mol:

-376.82

Dipole, Da:

3.38

IP(EA), eV:

 -9.84(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclopentyl-2-(6-methylsulfanyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-2-oxoethyl]-4-(4-propylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(CCN(C2)C(=O)CC(CN3C(C(CCC3=O)F)O)N)C(=N1)C(F)(F)F.Cl

DOS

IR

Vibrations