Geometry & MOs

Info

ID:	78068
PubChem CID:	49681628
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	495.105326
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	6.22
IP(EA), eV:	-8.94(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCOCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations