Geometry & MOs

Info

ID:	345010
PubChem CID:	127268770
Reduced:	S2N3O3C15H25 (1)
Stoich.:	A2B3C3D15E25 (1)
Weight, g/mol:	371.17012
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	4.73
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations