Geometry & MOs

Info

ID:	129804
PubChem CID:	51073897
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	342.107185
ΔH_f, kcal/mol:	38.15
Dipole, Da:	3.84
IP(EA), eV:	-8.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCC(=O)NCCC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations