Geometry & MOs

Info

ID:	268890
PubChem CID:	103601962
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	4.27
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)C2=CC=CC=C2S

DOS

IR

Vibrations