Geometry & MOs

Info

ID:	78071
PubChem CID:	49681632
Reduced:	FS2N3O4C21H24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	479.134877
ΔH_f, kcal/mol:	-143.7
Dipole, Da:	4.08
IP(EA), eV:	-9.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CCOC

DOS

IR

Vibrations