Geometry & MOs

Info

ID:	238686
PubChem CID:	92765069
Reduced:	OSN6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	388.204531
ΔH_f, kcal/mol:	4.83
Dipole, Da:	5.71
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)[C@@H]2CCCN(C2)C3=NC4=C(S3)N=CC=C4

DOS

IR

Vibrations