Geometry & MOs

Info

ID:	345009
PubChem CID:	127268769
Reduced:	S2N3O3C16H27 (1)
Stoich.:	A2B3C3D16E27 (1)
Weight, g/mol:	359.133734
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	6.06
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations