Geometry & MOs

Info

ID:	344999
PubChem CID:	127268759
Reduced:	S2N3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	331.102434
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	4.91
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(oxolan-2-ylmethylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations