Geometry & MOs

Info

ID:	71279
PubChem CID:	48414563
Reduced:	ClSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	2.71
IP(EA), eV:	-8.84(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations