Geometry & MOs

Info

ID:	348790
PubChem CID:	127274438
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	383.224263
ΔH_f, kcal/mol:	-152.98
Dipole, Da:	5.96
IP(EA), eV:	-8.81(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)CN2CCN(CC2)C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations