Geometry & MOs

Info

ID:	121388
PubChem CID:	50766084
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	488.209341
ΔH_f, kcal/mol:	-135.9
Dipole, Da:	8.51
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-[(2-methylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)C)C)C(=O)O

DOS

IR

Vibrations