Geometry & MOs

Info

ID:

66902

PubChem CID:

46505486

Reduced:

FSO4N5C29H36 (1)

Stoich.:

ABC4D5E29F36 (1)

Weight, g/mol:

567.287926

ΔHf, kcal/mol:

-166.0

Dipole, Da:

4.3

IP(EA), eV:

 -8.59(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C(N(C1=S)CCCN2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

DOS

IR

Vibrations