Geometry & MOs

Info

ID:	235817
PubChem CID:	92710716
Reduced:	FSO2N6C22H27 (1)
Stoich.:	ABC2D6E22F27 (1)
Weight, g/mol:	498.204925
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	3.08
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)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=C(C=C5)F

DOS

IR

Vibrations