Geometry & MOs

Info

ID:	353679
PubChem CID:	127285256
Reduced:	SN3O4C17H29 (1)
Stoich.:	AB3C4D17E29 (1)
Weight, g/mol:	398.142405
ΔH_f, kcal/mol:	-192.98
Dipole, Da:	11.84
IP(EA), eV:	-9.39(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations