Geometry & MOs

Info

ID:	357690
PubChem CID:	127294364
Reduced:	O2S2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	391.138819
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	6.31
IP(EA), eV:	-8.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)S(=O)(=O)C3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations