Geometry & MOs

Info

ID:	350487
PubChem CID:	127277849
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-176.18
Dipole, Da:	2.29
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC2COCCO2

DOS

IR

Vibrations