Geometry & MOs

Info

ID:	55430
PubChem CID:	17395390
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	342.080491
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	2.78
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations