Geometry & MOs

Info

ID:	353680
PubChem CID:	127285257
Reduced:	FSN4O4C17H23 (1)
Stoich.:	ABC4D4E17F23 (1)
Weight, g/mol:	358.167477
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	4.89
IP(EA), eV:	-9.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations