Geometry & MOs

Info

ID:	235425
PubChem CID:	92708776
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	2.55
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)[C@H]2CCCN(C2)C3=NC4=C(S3)N=CC=C4

DOS

IR

Vibrations