Geometry & MOs

Info

ID:	361363
PubChem CID:	127302682
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	15.51
Dipole, Da:	8.66
IP(EA), eV:	-8.53(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations