Geometry & MOs

Info

ID:

66903

PubChem CID:

46505487

Reduced:

SO4N5C30H41 (1)

Stoich.:

AB4C5D30E41 (1)

Weight, g/mol:

555.231554

ΔHf, kcal/mol:

-115.3

Dipole, Da:

1.74

IP(EA), eV:

 -8.32(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=C(C=C4)OC)CC

DOS

IR

Vibrations