Geometry & MOs

Info

ID:	238683
PubChem CID:	92765065
Reduced:	OSN6C26H34 (1)
Stoich.:	ABC6D26E34 (1)
Weight, g/mol:	478.251481
ΔH_f, kcal/mol:	26.73
Dipole, Da:	3.26
IP(EA), eV:	-8.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(4-benzylpiperazin-1-yl)propyl]-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)NCCCN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations