Geometry & MOs

Info

ID:	66329
PubChem CID:	46504324
Reduced:	ClSO3N4C27H33 (1)
Stoich.:	ABC3D4E27F33 (1)
Weight, g/mol:	566.256292
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	3.39
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations