Geometry & MOs

Info

ID:	353681
PubChem CID:	127285258
Reduced:	SN4O4C15H26 (1)
Stoich.:	AB4C4D15E26 (1)
Weight, g/mol:	398.142405
ΔH_f, kcal/mol:	-171.57
Dipole, Da:	2.89
IP(EA), eV:	-9.38(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations