Geometry & MOs

Info

ID:	78069
PubChem CID:	49681629
Reduced:	ClS2N3O4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	479.134877
ΔH_f, kcal/mol:	-114.02
Dipole, Da:	6.09
IP(EA), eV:	-9.13(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations