Geometry & MOs

Info

ID:	348791
PubChem CID:	127274439
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	386.117939
ΔH_f, kcal/mol:	-145.89
Dipole, Da:	6.67
IP(EA), eV:	-8.95(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CCCCC1)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations