Geometry & MOs

Info

ID:	238742
PubChem CID:	92765354
Reduced:	SO3N5C31H41 (1)
Stoich.:	AB3C5D31E41 (1)
Weight, g/mol:	551.293011
ΔH_f, kcal/mol:	-61.0
Dipole, Da:	1.84
IP(EA), eV:	-8.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)CC=C

DOS

IR

Vibrations