Geometry & MOs

Info

ID:	129382
PubChem CID:	51072449
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	284.075012
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	6.37
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-methylsulfanylphenyl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C

DOS

IR

Vibrations