Geometry & MOs

Info

ID:

66935

PubChem CID:

46505549

Reduced:

ClFSO3N5C33H37 (1)

Stoich.:

ABCD3E5F33G37 (1)

Weight, g/mol:

675.289069

ΔHf, kcal/mol:

-97.79

Dipole, Da:

4.87

IP(EA), eV:

 -8.15(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations