Geometry & MOs

Info

ID:	121979
PubChem CID:	50788645
Reduced:	BrSN3O3C15H20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	4.16
IP(EA), eV:	-8.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations