Geometry & MOs

Info

ID:	362415
PubChem CID:	127307760
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	351.22704
ΔH_f, kcal/mol:	-113.37
Dipole, Da:	3.95
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)NCCS(=O)(=O)N1CCSCC1)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations