Geometry & MOs

Info

ID:	367555
PubChem CID:	127324923
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-144.87
Dipole, Da:	2.39
IP(EA), eV:	-8.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations