Geometry & MOs

Info

ID:	66899
PubChem CID:	46505483
Reduced:	S2O3N4C29H38 (1)
Stoich.:	A2B3C4D29E38 (1)
Weight, g/mol:	571.202004
ΔH_f, kcal/mol:	-82.66
Dipole, Da:	2.17
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[1-(3-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-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)N2CCN3CCC(CC3)C)C4=CC(=CC=C4)SC

DOS

IR

Vibrations