Geometry & MOs

Info

ID:	71334
PubChem CID:	48414644
Reduced:	FSN3O3C20H26 (1)
Stoich.:	ABC3D3E20F26 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	3.5
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations