Geometry & MOs

Info

ID:	196344
PubChem CID:	78814397
Reduced:	ClSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	321.131112
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	3.44
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CSC3=NN=C(O3)C4=CC=CC=C4Cl

DOS

IR

Vibrations