Geometry & MOs

Info

ID:	78097
PubChem CID:	49681662
Reduced:	FS2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	463.08359
ΔH_f, kcal/mol:	-35.01
Dipole, Da:	6.79
IP(EA), eV:	-9.2(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-difluoro-3-prop-2-ynyl-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)CC#C

DOS

IR

Vibrations