Geometry & MOs

Info

ID:

66900

PubChem CID:

46505484

Reduced:

ClSO4N5C28H34 (1)

Stoich.:

ABC4D5E28F34 (1)

Weight, g/mol:

555.267939

ΔHf, kcal/mol:

-117.61

Dipole, Da:

2.92

IP(EA), eV:

 -8.7(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-ethyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations