Geometry & MOs

Info

ID:	922
PubChem CID:	3536
Reduced:	S2O3N5H15C21 (1)
Stoich.:	A2B3C5D15E21 (1)
Weight, g/mol:	449.061632
ΔH_f, kcal/mol:	23.55
Dipole, Da:	6.95
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O

DOS

IR

Vibrations