Geometry & MOs

Info

ID:	78070
PubChem CID:	49681630
Reduced:	FS2N3O4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	465.119227
ΔH_f, kcal/mol:	-153.23
Dipole, Da:	5.03
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations