Geometry & MOs

Info

ID:	78531
PubChem CID:	49693493
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	383.131506
ΔH_f, kcal/mol:	-157.26
Dipole, Da:	5.18
IP(EA), eV:	-9.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations