Geometry & MOs

Info

ID:	235843
PubChem CID:	92710831
Reduced:	SO2N6C18H28 (1)
Stoich.:	AB2C6D18E28 (1)
Weight, g/mol:	455.210344
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	6.21
IP(EA), eV:	-8.12(-0.17)
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]piperidin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4CCCCC4=O

DOS

IR

Vibrations