Geometry & MOs

Info

ID:	71275
PubChem CID:	48414558
Reduced:	FSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	5.86
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations