Geometry & MOs

Info

ID:	235844
PubChem CID:	92710833
Reduced:	SO2N7C22H29 (1)
Stoich.:	AB2C7D22E29 (1)
Weight, g/mol:	472.205674
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	9.82
IP(EA), eV:	-8.39(-0.48)
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]piperidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=NN=C(S2)N3CCC[C@@H](C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations