Geometry & MOs

Info

ID:	235846
PubChem CID:	92710837
Reduced:	FSO2N6C23H29 (1)
Stoich.:	ABC2D6E23F29 (1)
Weight, g/mol:	405.129317
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	7.52
IP(EA), eV:	-8.37(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=NN=C(S2)N3CCC[C@@H](C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations