Geometry & MOs

Info

ID:	176465
PubChem CID:	76053612
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	348.159769
ΔH_f, kcal/mol:	-72.77
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-(2-fluorophenyl)propanoyl]piperazine-1-carbonyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCC1CC(NN1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C

DOS

IR

Vibrations