Geometry & MOs

Info

ID:	345008
PubChem CID:	127268768
Reduced:	NSO4C19H29 (1)
Stoich.:	ABC4D19E29 (1)
Weight, g/mol:	373.149384
ΔH_f, kcal/mol:	-164.33
Dipole, Da:	4.43
IP(EA), eV:	-8.12(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN(CCC2=C1)S(=O)(=O)CC3CCCCC3)OC

DOS

IR

Vibrations