Geometry & MOs

Info

ID:	367092
PubChem CID:	127323145
Reduced:	ClSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	8.02
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-3-(4-cyclobutylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C3CCC3

DOS

IR

Vibrations