Geometry & MOs

Info

ID:	142966
PubChem CID:	53124949
Reduced:	SN4O5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	416.168225
ΔH_f, kcal/mol:	-167.79
Dipole, Da:	4.39
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC(=O)NC4=CC=CC(=N4)C)OC1=O

DOS

IR

Vibrations