Geometry & MOs

Info

ID:	136787
PubChem CID:	52100440
Reduced:	S2O3N4H9C14 (1)
Stoich.:	A2B3C4D9E14 (1)
Weight, g/mol:	346.019433
ΔH_f, kcal/mol:	-5.6
Dipole, Da:	6.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.150103
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)[N-]S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations