Geometry & MOs

Info

ID:	78072
PubChem CID:	49681633
Reduced:	FS2N3O4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	483.109805
ΔH_f, kcal/mol:	-155.33
Dipole, Da:	4.45
IP(EA), eV:	-9.11(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations