Geometry & MOs

Info

ID:	433177
PubChem CID:	135173314
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	270.059362
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	3.67
IP(EA), eV:	-8.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(4-phenylsulfanylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)SC1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations