Geometry & MOs

Info

ID:	78528
PubChem CID:	49693485
Reduced:	FSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	354.124943
ΔH_f, kcal/mol:	-203.48
Dipole, Da:	5.33
IP(EA), eV:	-9.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations