Geometry & MOs

Info

ID:	349069
PubChem CID:	127274795
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	370.229014
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	3.35
IP(EA), eV:	-8.85(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)NC2(CCC2)C#N

DOS

IR

Vibrations