Geometry & MOs

Info

ID:

66984

PubChem CID:

46505641

Reduced:

SN4O5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

540.220655

ΔHf, kcal/mol:

-163.97

Dipole, Da:

4.56

IP(EA), eV:

 -8.71(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCC(CC3)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations