Geometry & MOs

Info

ID:	235426
PubChem CID:	92708781
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	4.82
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-morpholin-4-ylpropyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=C(S2)N=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations