Geometry & MOs

Info

ID:	345000
PubChem CID:	127268760
Reduced:	S2N3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	343.138819
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	5.44
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(cyclohexylmethylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations