Geometry & MOs

Info

ID:	348002
PubChem CID:	127273064
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	371.224263
ΔH_f, kcal/mol:	-46.59
Dipole, Da:	5.45
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)CC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations