Geometry & MOs

Info

ID:	64395
PubChem CID:	29199485
Reduced:	SO2N4C27H31 (1)
Stoich.:	AB2C4D27E31 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	44.67
Dipole, Da:	8.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752139
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methyl-N-phenylacetamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations