Geometry & MOs

Info

ID:	235841
PubChem CID:	92710818
Reduced:	SO2N6C23H30 (1)
Stoich.:	AB2C6D23E30 (1)
Weight, g/mol:	454.215095
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	3.58
IP(EA), eV:	-7.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3S)-3-(4-phenylpiperazine-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=C5

DOS

IR

Vibrations