Geometry & MOs

Info

ID:	344800
PubChem CID:	127268438
Reduced:	S2N3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	357.154469
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	4.46
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations