Geometry & MOs

Info

ID:	284866
PubChem CID:	104079014
Reduced:	ClSN2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	322.01393
ΔH_f, kcal/mol:	42.55
Dipole, Da:	1.98
IP(EA), eV:	-9.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-bromophenyl)piperidin-4-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CN=CS2)C3=CC=CC=C3Cl

DOS

IR

Vibrations