Geometry & MOs

Info

ID:	344998
PubChem CID:	127268758
Reduced:	SN3O4C17H31 (1)
Stoich.:	AB3C4D17E31 (1)
Weight, g/mol:	345.118084
ΔH_f, kcal/mol:	-213.98
Dipole, Da:	5.91
IP(EA), eV:	-9.66(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations