Geometry & MOs

Info

ID:	371442
PubChem CID:	127346358
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-181.18
Dipole, Da:	6.99
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)NC2CS(=O)(=O)CC2N3CCOCC3

DOS

IR

Vibrations