Geometry & MOs

Info

ID:	235838
PubChem CID:	92710798
Reduced:	SO2N6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	6.31
IP(EA), eV:	-8.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-benzyl-N-methyl-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=NN=C(S2)N3CCC[C@H](C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations