Geometry & MOs

Info

ID:	145570
PubChem CID:	53546325
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	6.42
Dipole, Da:	4.28
IP(EA), eV:	-8.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-prop-2-enylsulfanylacetamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1SCC(CN2CCN(CC2)C3=CC=CC=C3)O

DOS

IR

Vibrations