Geometry & MOs

Info

ID:	433124
PubChem CID:	135173261
Reduced:	NOS2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	284.075012
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	2.28
IP(EA), eV:	-8.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[4-(4-methylphenyl)sulfanylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CSN1CCC(CC1)CCCOSC

DOS

IR

Vibrations