Geometry & MOs

Info

ID:	136786
PubChem CID:	52100439
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	345.011608
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	3.77
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,3-benzothiazol-2-yl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]azanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations