Geometry & MOs

Info

ID:	268040
PubChem CID:	103597518
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	442.149718
ΔH_f, kcal/mol:	40.09
Dipole, Da:	3.24
IP(EA), eV:	-8.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-(azocan-1-yl)pyridin-4-yl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CSC(=N2)C3=CC(=NC=C3)N4CCCCCC4

DOS

IR

Vibrations