Geometry & MOs

Info

ID:	235816
PubChem CID:	92710715
Reduced:	SO2N7C21H27 (1)
Stoich.:	AB2C7D21E27 (1)
Weight, g/mol:	458.190023
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	4.83
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NN=C(S2)N3CCCC3=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations