Geometry & MOs

Info

ID:

66945

PubChem CID:

46505571

Reduced:

ClSO4N5C34H38 (1)

Stoich.:

ABC4D5E34F38 (1)

Weight, g/mol:

589.252289

ΔHf, kcal/mol:

-90.71

Dipole, Da:

2.99

IP(EA), eV:

 -8.86(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations