Geometry & MOs

Info

ID:	238685
PubChem CID:	92765067
Reduced:	OSN6C22H34 (1)
Stoich.:	ABC6D22E34 (1)
Weight, g/mol:	388.204531
ΔH_f, kcal/mol:	-9.65
Dipole, Da:	4.87
IP(EA), eV:	-8.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CCCNC(=O)[C@@H]2CCCN(C2)C3=NC4=C(S3)N=CC=C4

DOS

IR

Vibrations