Geometry & MOs

Info

ID:	122813
PubChem CID:	50822778
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	7.83
IP(EA), eV:	-9.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCCC1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations