Geometry & MOs

Info

ID:	121654
PubChem CID:	50776129
Reduced:	BrSN3O3C17H26 (1)
Stoich.:	ABC3D3E17F26 (1)
Weight, g/mol:	409.203528
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	3.16
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations