Geometry & MOs

Info

ID:	235815
PubChem CID:	92710708
Reduced:	SO3N6C19H28 (1)
Stoich.:	AB3C6D19E28 (1)
Weight, g/mol:	441.194694
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	8.27
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3S)-3-(4-pyridin-2-ylpiperazine-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)NCCCN4CCCC4=O

DOS

IR

Vibrations